N-[(2S,3S)-1-[[(2S)-1-amino-4-methyl-3-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]-4-(2-methylpropylamino)piperidine-3-carboxamide

C20H39N5O4 — CID 166658849

IUPACN-[(2S,3S)-1-[[(2S)-1-amino-4-methyl-3-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]-4-(2-methylpropylamino)piperidine-3-carboxamide
SMILESCC(C)CNC1CCNCC1C(=O)N[C@H](C(=O)N[C@@H](CN)C(=O)C(C)C)[C@H](C)O
InChIInChI=1S/C20H39N5O4/c1-11(2)9-23-15-6-7-22-10-14(15)19(28)25-17(13(5)26)20(29)24-16(8-21)18(27)12(3)4/h11-17,22-23,26H,6-10,21H2,1-5H3,(H,24,29)(H,25,28)/t13-,14?,15?,16-,17-/m0/s1
InChIKeyCGZBXQYZQLNPSF-VMAZRHSESA-N
MW413.56 g/mol
LogP-1.26
Rot. Bonds11

About N-[(2S,3S)-1-[[(2S)-1-amino-4-methyl-3-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]-4-(2-methylpropylamino)piperidine-3-carboxamide

N-[(2S,3S)-1-[[(2S)-1-amino-4-methyl-3-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]-4-(2-methylpropylamino)piperidine-3-carboxamide (PubChem CID 166658849) has the molecular formula C20H39N5O4 and a molecular weight of 413.56 g/mol. Its IUPAC name is N-[(2S,3S)-1-[[(2S)-1-amino-4-methyl-3-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]-4-(2-methylpropylamino)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(2S,3S)-1-[[(2S)-1-amino-4-methyl-3-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]-4-(2-methylpropylamino)piperidine-3-carboxamide
PubChem CID166658849
Molecular FormulaC20H39N5O4
Molecular Weight413.56 g/mol
Exact Mass413.30
IUPAC NameN-[(2S,3S)-1-[[(2S)-1-amino-4-methyl-3-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]-4-(2-methylpropylamino)piperidine-3-carboxamide
SMILESCC(C)CNC1CCNCC1C(=O)N[C@H](C(=O)N[C@@H](CN)C(=O)C(C)C)[C@H](C)O
InChIInChI=1S/C20H39N5O4/c1-11(2)9-23-15-6-7-22-10-14(15)19(28)25-17(13(5)26)20(29)24-16(8-21)18(27)12(3)4/h11-17,22-23,26H,6-10,21H2,1-5H3,(H,24,29)(H,25,28)/t13-,14?,15?,16-,17-/m0/s1
InChIKeyCGZBXQYZQLNPSF-VMAZRHSESA-N
XLogP-1.26
TPSA145.58 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.56
LogP ≤ 5-1.26
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

Analyze N-[(2S,3S)-1-[[(2S)-1-amino-4-methyl-3-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]-4-(2-methylpropylamino)piperidine-3-carboxamide with MolForge

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Related Compounds

N-[(2S,3S)-3-hydroxy-1-[[(2S)-4-methyl-1-(methylamino)-3-oxopentan-2-yl]amino]-1-oxobutan-2-yl]-4-(2-methylpropylamino)piperidine-3-carboxamide
CID 126694016
(3S,4S)-N-[(2S,3S)-1-[[(2S)-1-amino-4-methyl-3-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]-4-(2-methylpropyl)pyrrolidine-3-carboxamide
CID 126693898
(3S)-N-[(2S)-4-amino-1-[[(2S)-1-[[(3S)-1-amino-5-methyl-4-oxohexan-3-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]piperidine-3-carboxamide
CID 139469267
(2S)-N-[(2S,3S)-1-[[(3S)-1-amino-5-methyl-4-oxohexan-3-yl]amino]-3-hydroxy-1-oxobutan-2-yl]-1-(3-methylbutanoyl)piperazine-2-carboxamide
CID 126694000
(3R)-N-[(2S)-1-[[(3S)-1-amino-4-oxopentan-3-yl]amino]-3-hydroxy-1-oxobutan-2-yl]piperidine-3-carboxamide
CID 122467366
N-[(2S,3S)-1-[[(4S)-1-amino-6-methyl-5-oxoheptan-4-yl]amino]-3-hydroxy-1-oxobutan-2-yl]-5-cyclohexylpiperidine-3-carboxamide
CID 166658765
(2S)-N-[(2S,3S)-1-[[(3S)-1-amino-5-methyl-4-oxohexan-3-yl]amino]-3-hydroxy-1-oxobutan-2-yl]-1-benzylpiperazine-2-carboxamide
CID 126693545
(2S)-N-[(2S)-1-[[(3S)-1-amino-4-oxohexan-3-yl]amino]-3-hydroxy-1-oxobutan-2-yl]morpholine-2-carboxamide
CID 154935037
(3R,5S)-5-N-[(2S,3S)-1-[[(2S)-1-amino-3-oxobutan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]-3-N-benzylpiperidine-3,5-dicarboxamide
CID 126693556
2-(2-aminoethyl)-N-[(2S)-1-[[(3S)-1-amino-5-methyl-4-oxohexan-3-yl]amino]-3-hydroxy-1-oxobutan-2-yl]-5-methylhexanamide
CID 134219365
3-amino-2-methyl-N-pyrrolidin-3-ylpropanamide
CID 130616618
N-[(2S,3S)-1-[[(3S)-1-amino-5-methyl-4-oxohexan-3-yl]amino]-3-hydroxy-1-oxobutan-2-yl]-6-octylpiperidine-3-carboxamide
CID 144918102

Frequently Asked Questions

What is the IUPAC name of N-[(2S,3S)-1-[[(2S)-1-amino-4-methyl-3-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]-4-(2-methylpropylamino)piperidine-3-carboxamide?
The IUPAC name of N-[(2S,3S)-1-[[(2S)-1-amino-4-methyl-3-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]-4-(2-methylpropylamino)piperidine-3-carboxamide (CID 166658849) is N-[(2S,3S)-1-[[(2S)-1-amino-4-methyl-3-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]-4-(2-methylpropylamino)piperidine-3-carboxamide.
What is the SMILES notation for N-[(2S,3S)-1-[[(2S)-1-amino-4-methyl-3-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]-4-(2-methylpropylamino)piperidine-3-carboxamide?
The canonical SMILES for N-[(2S,3S)-1-[[(2S)-1-amino-4-methyl-3-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]-4-(2-methylpropylamino)piperidine-3-carboxamide is CC(C)CNC1CCNCC1C(=O)N[C@H](C(=O)N[C@@H](CN)C(=O)C(C)C)[C@H](C)O.
What is the InChIKey of N-[(2S,3S)-1-[[(2S)-1-amino-4-methyl-3-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]-4-(2-methylpropylamino)piperidine-3-carboxamide?
The InChIKey is CGZBXQYZQLNPSF-VMAZRHSESA-N. The full InChI is InChI=1S/C20H39N5O4/c1-11(2)9-23-15-6-7-22-10-14(15)19(28)25-17(13(5)26)20(29)24-16(8-21)18(27)12(3)4/h11-17,22-23,26H,6-10,21H2,1-5H3,(H,24,29)(H,25,28)/t13-,14?,15?,16-,17-/m0/s1.
What are the key properties of N-[(2S,3S)-1-[[(2S)-1-amino-4-methyl-3-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]-4-(2-methylpropylamino)piperidine-3-carboxamide?
N-[(2S,3S)-1-[[(2S)-1-amino-4-methyl-3-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]-4-(2-methylpropylamino)piperidine-3-carboxamide has a molecular weight of 413.56 g/mol, XLogP of -1.26, 11 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3S)-1-[[(2S)-1-amino-4-methyl-3-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]-4-(2-methylpropylamino)piperidine-3-carboxamide is sourced from PubChem (CID 166658849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).