(2S)-2-amino-N-[(2S,3S)-3-methyl-1-oxopentan-2-yl]propanamide

C9H18N2O2 — CID 22819051

IUPAC(2S)-2-amino-N-[(2S,3S)-3-methyl-1-oxopentan-2-yl]propanamide
SMILESCC[C@H](C)[C@@H](C=O)NC(=O)[C@H](C)N
InChIInChI=1S/C9H18N2O2/c1-4-6(2)8(5-12)11-9(13)7(3)10/h5-8H,4,10H2,1-3H3,(H,11,13)/t6-,7-,8+/m0/s1
InChIKeyDZGJXRACTRCXQK-BIIVOSGPSA-N
MW186.25 g/mol
LogP0.06
Rot. Bonds5

About (2S)-2-amino-N-[(2S,3S)-3-methyl-1-oxopentan-2-yl]propanamide

(2S)-2-amino-N-[(2S,3S)-3-methyl-1-oxopentan-2-yl]propanamide (PubChem CID 22819051) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is (2S)-2-amino-N-[(2S,3S)-3-methyl-1-oxopentan-2-yl]propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[(2S,3S)-3-methyl-1-oxopentan-2-yl]propanamide
PubChem CID22819051
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name(2S)-2-amino-N-[(2S,3S)-3-methyl-1-oxopentan-2-yl]propanamide
SMILESCC[C@H](C)[C@@H](C=O)NC(=O)[C@H](C)N
InChIInChI=1S/C9H18N2O2/c1-4-6(2)8(5-12)11-9(13)7(3)10/h5-8H,4,10H2,1-3H3,(H,11,13)/t6-,7-,8+/m0/s1
InChIKeyDZGJXRACTRCXQK-BIIVOSGPSA-N
XLogP0.06
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-amino-3-hydroxy-N-[(2S,3S)-3-methyl-1-oxopentan-2-yl]propanamide
CID 52914805
(3R)-2,3-dimethyl-N-[(3S)-3-methyl-1-oxopentan-2-yl]pentanamide
CID 172568170
(3-methyl-1-oxopentan-2-yl)carbamic acid
CID 22368838
N-(3-methyl-1-oxopentan-2-yl)propanamide
CID 19592258
(2S)-2-amino-N-[(2S)-1-oxobutan-2-yl]propanamide
CID 123756071
3-methyl-N-(3-methyl-1-oxopentan-2-yl)butanamide
CID 123144542
(2S)-2-acetamido-4-methyl-N-[(2S)-4-methyl-1-[[(2S)-3-methyl-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]pentanamide
CID 102069271
methyl 2-[[(2S)-2-aminopropanoyl]amino]-3-methylpentanoate
CID 61146510
(2S)-2-amino-N-pentan-3-ylpropanamide
CID 14333664
N-[(2S,3S)-3-methyl-1-oxopentan-2-yl]benzamide
CID 173402409
2-amino-N-(4-methyl-1-oxopentan-2-yl)propanamide
CID 22169553
(3R,4R,5R)-3-[[(2S)-2-aminopropanoyl]amino]-4,5-dimethylheptanoic acid
CID 87609587

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(2S,3S)-3-methyl-1-oxopentan-2-yl]propanamide?
The IUPAC name of (2S)-2-amino-N-[(2S,3S)-3-methyl-1-oxopentan-2-yl]propanamide (CID 22819051) is (2S)-2-amino-N-[(2S,3S)-3-methyl-1-oxopentan-2-yl]propanamide.
What is the SMILES notation for (2S)-2-amino-N-[(2S,3S)-3-methyl-1-oxopentan-2-yl]propanamide?
The canonical SMILES for (2S)-2-amino-N-[(2S,3S)-3-methyl-1-oxopentan-2-yl]propanamide is CC[C@H](C)[C@@H](C=O)NC(=O)[C@H](C)N.
What is the InChIKey of (2S)-2-amino-N-[(2S,3S)-3-methyl-1-oxopentan-2-yl]propanamide?
The InChIKey is DZGJXRACTRCXQK-BIIVOSGPSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-4-6(2)8(5-12)11-9(13)7(3)10/h5-8H,4,10H2,1-3H3,(H,11,13)/t6-,7-,8+/m0/s1.
What are the key properties of (2S)-2-amino-N-[(2S,3S)-3-methyl-1-oxopentan-2-yl]propanamide?
(2S)-2-amino-N-[(2S,3S)-3-methyl-1-oxopentan-2-yl]propanamide has a molecular weight of 186.25 g/mol, XLogP of 0.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[(2S,3S)-3-methyl-1-oxopentan-2-yl]propanamide is sourced from PubChem (CID 22819051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).