(2S)-N-[(2S)-1-amino-3-oxobutan-2-yl]-2-[(1S)-1-hydroxyethyl]-4-oxo-4-[(3S)-piperidin-3-yl]butanamide

C15H27N3O4 — CID 170281932

IUPAC(2S)-N-[(2S)-1-amino-3-oxobutan-2-yl]-2-[(1S)-1-hydroxyethyl]-4-oxo-4-[(3S)-piperidin-3-yl]butanamide
SMILESCC(=O)[C@H](CN)NC(=O)[C@@H](CC(=O)[C@H]1CCCNC1)[C@H](C)O
InChIInChI=1S/C15H27N3O4/c1-9(19)12(15(22)18-13(7-16)10(2)20)6-14(21)11-4-3-5-17-8-11/h9,11-13,17,19H,3-8,16H2,1-2H3,(H,18,22)/t9-,11-,12-,13-/m0/s1
InChIKeyLVZHBZWQKOUPJN-BQUFFADESA-N
MW313.40 g/mol
LogP-1.03
Rot. Bonds8

About (2S)-N-[(2S)-1-amino-3-oxobutan-2-yl]-2-[(1S)-1-hydroxyethyl]-4-oxo-4-[(3S)-piperidin-3-yl]butanamide

(2S)-N-[(2S)-1-amino-3-oxobutan-2-yl]-2-[(1S)-1-hydroxyethyl]-4-oxo-4-[(3S)-piperidin-3-yl]butanamide (PubChem CID 170281932) has the molecular formula C15H27N3O4 and a molecular weight of 313.40 g/mol. Its IUPAC name is (2S)-N-[(2S)-1-amino-3-oxobutan-2-yl]-2-[(1S)-1-hydroxyethyl]-4-oxo-4-[(3S)-piperidin-3-yl]butanamide.

Molecular Properties

Compound Name(2S)-N-[(2S)-1-amino-3-oxobutan-2-yl]-2-[(1S)-1-hydroxyethyl]-4-oxo-4-[(3S)-piperidin-3-yl]butanamide
PubChem CID170281932
Molecular FormulaC15H27N3O4
Molecular Weight313.40 g/mol
Exact Mass313.20
IUPAC Name(2S)-N-[(2S)-1-amino-3-oxobutan-2-yl]-2-[(1S)-1-hydroxyethyl]-4-oxo-4-[(3S)-piperidin-3-yl]butanamide
SMILESCC(=O)[C@H](CN)NC(=O)[C@@H](CC(=O)[C@H]1CCCNC1)[C@H](C)O
InChIInChI=1S/C15H27N3O4/c1-9(19)12(15(22)18-13(7-16)10(2)20)6-14(21)11-4-3-5-17-8-11/h9,11-13,17,19H,3-8,16H2,1-2H3,(H,18,22)/t9-,11-,12-,13-/m0/s1
InChIKeyLVZHBZWQKOUPJN-BQUFFADESA-N
XLogP-1.03
TPSA121.52 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 5-1.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

(3R)-N-[(2S)-1-[[(3S)-1-amino-4-oxopentan-3-yl]amino]-3-hydroxy-1-oxobutan-2-yl]piperidine-3-carboxamide
CID 122467366
(3R)-N-[(2R)-1-aminopropan-2-yl]piperidine-3-carboxamide
CID 130710975
N-(1-amino-3-oxobutan-2-yl)-2-[[(3R)-piperidin-3-yl]methylamino]acetamide
CID 145088372
(3R)-N-(1-amino-3-methyl-1-oxobutan-2-yl)piperidine-3-carboxamide
CID 106344996
(2S)-N-[(3S)-1-amino-5-methyl-4-oxohexan-3-yl]-4-[(1R,3S)-3-cyclohexylcyclohexyl]-2-[(1S)-1-hydroxyethyl]-4-oxobutanamide
CID 158185680
(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)-1-amino-3-oxobutan-2-yl]pyrrolidine-2-carboxamide
CID 170382323
3-(piperidine-3-carbonylamino)butanoic acid
CID 61161193
(3S)-N-(1-cyclopropylethyl)piperidine-3-carboxamide
CID 81123770
(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
methyl 4-methyl-2-(piperidine-3-carbonylamino)pentanoate
CID 43704259
(2S)-N-[(3S)-1-amino-5-methyl-4-oxohexan-3-yl]-2-[(1S)-1-hydroxyethyl]-4-[(1R,3R)-3-octylcyclohexyl]-4-oxobutanamide
CID 160726425

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(2S)-1-amino-3-oxobutan-2-yl]-2-[(1S)-1-hydroxyethyl]-4-oxo-4-[(3S)-piperidin-3-yl]butanamide?
The IUPAC name of (2S)-N-[(2S)-1-amino-3-oxobutan-2-yl]-2-[(1S)-1-hydroxyethyl]-4-oxo-4-[(3S)-piperidin-3-yl]butanamide (CID 170281932) is (2S)-N-[(2S)-1-amino-3-oxobutan-2-yl]-2-[(1S)-1-hydroxyethyl]-4-oxo-4-[(3S)-piperidin-3-yl]butanamide.
What is the SMILES notation for (2S)-N-[(2S)-1-amino-3-oxobutan-2-yl]-2-[(1S)-1-hydroxyethyl]-4-oxo-4-[(3S)-piperidin-3-yl]butanamide?
The canonical SMILES for (2S)-N-[(2S)-1-amino-3-oxobutan-2-yl]-2-[(1S)-1-hydroxyethyl]-4-oxo-4-[(3S)-piperidin-3-yl]butanamide is CC(=O)[C@H](CN)NC(=O)[C@@H](CC(=O)[C@H]1CCCNC1)[C@H](C)O.
What is the InChIKey of (2S)-N-[(2S)-1-amino-3-oxobutan-2-yl]-2-[(1S)-1-hydroxyethyl]-4-oxo-4-[(3S)-piperidin-3-yl]butanamide?
The InChIKey is LVZHBZWQKOUPJN-BQUFFADESA-N. The full InChI is InChI=1S/C15H27N3O4/c1-9(19)12(15(22)18-13(7-16)10(2)20)6-14(21)11-4-3-5-17-8-11/h9,11-13,17,19H,3-8,16H2,1-2H3,(H,18,22)/t9-,11-,12-,13-/m0/s1.
What are the key properties of (2S)-N-[(2S)-1-amino-3-oxobutan-2-yl]-2-[(1S)-1-hydroxyethyl]-4-oxo-4-[(3S)-piperidin-3-yl]butanamide?
(2S)-N-[(2S)-1-amino-3-oxobutan-2-yl]-2-[(1S)-1-hydroxyethyl]-4-oxo-4-[(3S)-piperidin-3-yl]butanamide has a molecular weight of 313.40 g/mol, XLogP of -1.03, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(2S)-1-amino-3-oxobutan-2-yl]-2-[(1S)-1-hydroxyethyl]-4-oxo-4-[(3S)-piperidin-3-yl]butanamide is sourced from PubChem (CID 170281932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).