(2S,3S)-2-acetamido-N-[(2R)-1-amino-1-oxopropan-2-yl]-3-methylpentanamide

C11H21N3O3 — CID 71558799

IUPAC(2S,3S)-2-acetamido-N-[(2R)-1-amino-1-oxopropan-2-yl]-3-methylpentanamide
SMILESCC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@H](C)C(N)=O
InChIInChI=1S/C11H21N3O3/c1-5-6(2)9(14-8(4)15)11(17)13-7(3)10(12)16/h6-7,9H,5H2,1-4H3,(H2,12,16)(H,13,17)(H,14,15)/t6-,7+,9-/m0/s1
InChIKeyYEJDWIQQCGNDBZ-OOZYFLPDSA-N
MW243.31 g/mol
LogP-0.47
Rot. Bonds6

About (2S,3S)-2-acetamido-N-[(2R)-1-amino-1-oxopropan-2-yl]-3-methylpentanamide

(2S,3S)-2-acetamido-N-[(2R)-1-amino-1-oxopropan-2-yl]-3-methylpentanamide (PubChem CID 71558799) has the molecular formula C11H21N3O3 and a molecular weight of 243.31 g/mol. Its IUPAC name is (2S,3S)-2-acetamido-N-[(2R)-1-amino-1-oxopropan-2-yl]-3-methylpentanamide.

Molecular Properties

Compound Name(2S,3S)-2-acetamido-N-[(2R)-1-amino-1-oxopropan-2-yl]-3-methylpentanamide
PubChem CID71558799
Molecular FormulaC11H21N3O3
Molecular Weight243.31 g/mol
Exact Mass243.16
IUPAC Name(2S,3S)-2-acetamido-N-[(2R)-1-amino-1-oxopropan-2-yl]-3-methylpentanamide
SMILESCC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@H](C)C(N)=O
InChIInChI=1S/C11H21N3O3/c1-5-6(2)9(14-8(4)15)11(17)13-7(3)10(12)16/h6-7,9H,5H2,1-4H3,(H2,12,16)(H,13,17)(H,14,15)/t6-,7+,9-/m0/s1
InChIKeyYEJDWIQQCGNDBZ-OOZYFLPDSA-N
XLogP-0.47
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 5-0.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2S,3S)-2-acetamido-N-[(2R)-1-amino-1-oxopropan-2-yl]-3-methylpentanamide with MolForge

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Related Compounds

(2S,3S)-2-acetamido-N-[(2S)-1-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]-3-methylpentanamide
CID 101137791
(2S,3S)-2-acetamido-3-methylpentanamide
CID 6950966
2-[[2-(2-acetamidopropanoylamino)-3-methylbutanoyl]amino]-3-methylpentanamide
CID 23276427
2-acetamido-N-[1-[[1-[(1-amino-1-oxopropan-2-yl)amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-3-methylpentanamide
CID 156533775
(3S)-2-acetamido-N-[1-[[2-[[(2R)-1-amino-1-oxopropan-2-yl]amino]-1-naphthalen-1-yl-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]-3-methylpentanamide
CID 156556720
(2S,3S)-2-[(2-acetamido-3-methylbutanoyl)amino]-3-methylpentanoic acid
CID 61137926
2-[(2-acetamido-3-methylbutanoyl)amino]-3-methylpentanoic acid
CID 43171197
(2R)-2-[[(2S,3S)-2-acetamido-3-methylpentanoyl]amino]-3-sulfanylpropanoic acid
CID 175709227
2-amino-N-(1-amino-1-oxopropan-2-yl)butanamide
CID 43649626
2-(2-methoxypropanoylamino)propanamide
CID 115588153
(2R)-2-acetamido-3-methylbutanamide
CID 40561650
N-[(3S,4S)-3,6-dimethyl-5-oxooctan-4-yl]acetamide
CID 139337569

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-acetamido-N-[(2R)-1-amino-1-oxopropan-2-yl]-3-methylpentanamide?
The IUPAC name of (2S,3S)-2-acetamido-N-[(2R)-1-amino-1-oxopropan-2-yl]-3-methylpentanamide (CID 71558799) is (2S,3S)-2-acetamido-N-[(2R)-1-amino-1-oxopropan-2-yl]-3-methylpentanamide.
What is the SMILES notation for (2S,3S)-2-acetamido-N-[(2R)-1-amino-1-oxopropan-2-yl]-3-methylpentanamide?
The canonical SMILES for (2S,3S)-2-acetamido-N-[(2R)-1-amino-1-oxopropan-2-yl]-3-methylpentanamide is CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@H](C)C(N)=O.
What is the InChIKey of (2S,3S)-2-acetamido-N-[(2R)-1-amino-1-oxopropan-2-yl]-3-methylpentanamide?
The InChIKey is YEJDWIQQCGNDBZ-OOZYFLPDSA-N. The full InChI is InChI=1S/C11H21N3O3/c1-5-6(2)9(14-8(4)15)11(17)13-7(3)10(12)16/h6-7,9H,5H2,1-4H3,(H2,12,16)(H,13,17)(H,14,15)/t6-,7+,9-/m0/s1.
What are the key properties of (2S,3S)-2-acetamido-N-[(2R)-1-amino-1-oxopropan-2-yl]-3-methylpentanamide?
(2S,3S)-2-acetamido-N-[(2R)-1-amino-1-oxopropan-2-yl]-3-methylpentanamide has a molecular weight of 243.31 g/mol, XLogP of -0.47, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-acetamido-N-[(2R)-1-amino-1-oxopropan-2-yl]-3-methylpentanamide is sourced from PubChem (CID 71558799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).