N-[(2S)-1-[[(2R)-1-amino-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-N-methylpyrrolidine-2-carboxamide

C15H28N4O3 — CID 70567557

IUPACN-[(2S)-1-[[(2R)-1-amino-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-N-methylpyrrolidine-2-carboxamide
SMILESCC(C)C[C@@H](C(=O)N[C@H](C)C(N)=O)N(C)C(=O)C1CCCN1
InChIInChI=1S/C15H28N4O3/c1-9(2)8-12(14(21)18-10(3)13(16)20)19(4)15(22)11-6-5-7-17-11/h9-12,17H,5-8H2,1-4H3,(H2,16,20)(H,18,21)/t10-,11?,12+/m1/s1
InChIKeyVGGKHRLOGVCYBJ-LWALXPGCSA-N
MW312.41 g/mol
LogP-0.40
Rot. Bonds7

About N-[(2S)-1-[[(2R)-1-amino-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-N-methylpyrrolidine-2-carboxamide

N-[(2S)-1-[[(2R)-1-amino-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-N-methylpyrrolidine-2-carboxamide (PubChem CID 70567557) has the molecular formula C15H28N4O3 and a molecular weight of 312.41 g/mol. Its IUPAC name is N-[(2S)-1-[[(2R)-1-amino-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-N-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-[[(2R)-1-amino-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-N-methylpyrrolidine-2-carboxamide
PubChem CID70567557
Molecular FormulaC15H28N4O3
Molecular Weight312.41 g/mol
Exact Mass312.22
IUPAC NameN-[(2S)-1-[[(2R)-1-amino-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-N-methylpyrrolidine-2-carboxamide
SMILESCC(C)C[C@@H](C(=O)N[C@H](C)C(N)=O)N(C)C(=O)C1CCCN1
InChIInChI=1S/C15H28N4O3/c1-9(2)8-12(14(21)18-10(3)13(16)20)19(4)15(22)11-6-5-7-17-11/h9-12,17H,5-8H2,1-4H3,(H2,16,20)(H,18,21)/t10-,11?,12+/m1/s1
InChIKeyVGGKHRLOGVCYBJ-LWALXPGCSA-N
XLogP-0.40
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 5-0.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]-N-methylpyrrolidine-2-carboxamide
CID 22797057
(2S)-N-methyl-N-[(2S)-4-methyl-1-(2-methylpropylamino)-1-oxopentan-2-yl]pyrrolidine-2-carboxamide
CID 22803642
(2S)-N-(1-amino-1-oxopropan-2-yl)pyrrolidine-2-carboxamide
CID 61155752
2-[(2-aminoacetyl)-(pyrrolidine-2-carbonyl)amino]-4-methylpentanoic acid
CID 70411878
(2S)-N-methyl-N-(1-methylsulfanylpropan-2-yl)pyrrolidine-2-carboxamide
CID 103833218
2-[methyl-[(2R)-piperidine-2-carbonyl]amino]butanoic acid
CID 104913782
N-(1-hydroxy-4-methylpentan-2-yl)pyrrolidine-2-carboxamide
CID 61246606
N-(2-amino-2-oxoethyl)-N-(2-methylpropyl)pyrrolidine-2-carboxamide
CID 60962738
(2S)-N-[(2S)-1-[(2-amino-2-oxoethyl)(15N)amino]-4-methyl-1-oxo(113C)pentan-2-yl]pyrrolidine-2-carboxamide
CID 10266003
(2R)-N-[(2R)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]pyrrolidine-2-carboxamide
CID 51387302
N,N-dimethylpyrrolidine-2-carboxamide
CID 14282308
methyl 2-methyl-3-[methyl(pyrrolidine-2-carbonyl)amino]propanoate
CID 60963906

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[[(2R)-1-amino-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-N-methylpyrrolidine-2-carboxamide?
The IUPAC name of N-[(2S)-1-[[(2R)-1-amino-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-N-methylpyrrolidine-2-carboxamide (CID 70567557) is N-[(2S)-1-[[(2R)-1-amino-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-N-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-[(2S)-1-[[(2R)-1-amino-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-N-methylpyrrolidine-2-carboxamide?
The canonical SMILES for N-[(2S)-1-[[(2R)-1-amino-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-N-methylpyrrolidine-2-carboxamide is CC(C)C[C@@H](C(=O)N[C@H](C)C(N)=O)N(C)C(=O)C1CCCN1.
What is the InChIKey of N-[(2S)-1-[[(2R)-1-amino-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-N-methylpyrrolidine-2-carboxamide?
The InChIKey is VGGKHRLOGVCYBJ-LWALXPGCSA-N. The full InChI is InChI=1S/C15H28N4O3/c1-9(2)8-12(14(21)18-10(3)13(16)20)19(4)15(22)11-6-5-7-17-11/h9-12,17H,5-8H2,1-4H3,(H2,16,20)(H,18,21)/t10-,11?,12+/m1/s1.
What are the key properties of N-[(2S)-1-[[(2R)-1-amino-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-N-methylpyrrolidine-2-carboxamide?
N-[(2S)-1-[[(2R)-1-amino-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-N-methylpyrrolidine-2-carboxamide has a molecular weight of 312.41 g/mol, XLogP of -0.40, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[[(2R)-1-amino-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-N-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 70567557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).