(2S,3S)-2-acetamido-3-methylpentanamide

C8H16N2O2 — CID 6950966

IUPAC(2S,3S)-2-acetamido-3-methylpentanamide
SMILESCC[C@H](C)[C@H](NC(C)=O)C(N)=O
InChIInChI=1S/C8H16N2O2/c1-4-5(2)7(8(9)12)10-6(3)11/h5,7H,4H2,1-3H3,(H2,9,12)(H,10,11)/t5-,7-/m0/s1
InChIKeyWFBXRBMLCXMBBM-FSPLSTOPSA-N
MW172.23 g/mol
LogP0.02
Rot. Bonds4

About (2S,3S)-2-acetamido-3-methylpentanamide

(2S,3S)-2-acetamido-3-methylpentanamide (PubChem CID 6950966) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is (2S,3S)-2-acetamido-3-methylpentanamide.

Molecular Properties

Compound Name(2S,3S)-2-acetamido-3-methylpentanamide
PubChem CID6950966
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Name(2S,3S)-2-acetamido-3-methylpentanamide
SMILESCC[C@H](C)[C@H](NC(C)=O)C(N)=O
InChIInChI=1S/C8H16N2O2/c1-4-5(2)7(8(9)12)10-6(3)11/h5,7H,4H2,1-3H3,(H2,9,12)(H,10,11)/t5-,7-/m0/s1
InChIKeyWFBXRBMLCXMBBM-FSPLSTOPSA-N
XLogP0.02
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,3S)-2-acetamido-N-[(2R)-1-amino-1-oxopropan-2-yl]-3-methylpentanamide
CID 71558799
2-[[2-(2-acetamidopropanoylamino)-3-methylbutanoyl]amino]-3-methylpentanamide
CID 23276427
(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
(2R)-2-acetamido-3-methylbutanamide
CID 40561650
N-[(3S,4S)-3,6-dimethyl-5-oxooctan-4-yl]acetamide
CID 139337569
(2S)-3-methyl-2-(3-methylbutanoylamino)pentanamide
CID 87725663
(2S,3S)-3-methyl-2-[(3-methyl-2-oxopentanoyl)amino]pentanamide
CID 167869588
(2S,3S)-2-[(2-acetamido-3-methylbutanoyl)amino]-3-methylpentanoic acid
CID 61137926
2-[(2-acetamido-3-methylbutanoyl)amino]-3-methylpentanoic acid
CID 43171197
methyl (2R,5S,6S)-5-acetamido-6-methyl-2-(2-methylpropyl)-4-oxooctanoate
CID 163941794
N-[(2R,3S)-3-methyl-1-(4-methylphenyl)-1-oxopentan-2-yl]acetamide
CID 11053976
N-[(2S,3S)-3-methyl-1-(4-methylphenyl)-1-oxopentan-2-yl]acetamide
CID 100938187

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-acetamido-3-methylpentanamide?
The IUPAC name of (2S,3S)-2-acetamido-3-methylpentanamide (CID 6950966) is (2S,3S)-2-acetamido-3-methylpentanamide.
What is the SMILES notation for (2S,3S)-2-acetamido-3-methylpentanamide?
The canonical SMILES for (2S,3S)-2-acetamido-3-methylpentanamide is CC[C@H](C)[C@H](NC(C)=O)C(N)=O.
What is the InChIKey of (2S,3S)-2-acetamido-3-methylpentanamide?
The InChIKey is WFBXRBMLCXMBBM-FSPLSTOPSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-4-5(2)7(8(9)12)10-6(3)11/h5,7H,4H2,1-3H3,(H2,9,12)(H,10,11)/t5-,7-/m0/s1.
What are the key properties of (2S,3S)-2-acetamido-3-methylpentanamide?
(2S,3S)-2-acetamido-3-methylpentanamide has a molecular weight of 172.23 g/mol, XLogP of 0.02, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-acetamido-3-methylpentanamide is sourced from PubChem (CID 6950966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).