2-amino-N-(4-methyl-1-oxopentan-2-yl)propanamide

C9H18N2O2 — CID 22169553

IUPAC2-amino-N-(4-methyl-1-oxopentan-2-yl)propanamide
SMILESCC(C)CC(C=O)NC(=O)C(C)N
InChIInChI=1S/C9H18N2O2/c1-6(2)4-8(5-12)11-9(13)7(3)10/h5-8H,4,10H2,1-3H3,(H,11,13)
InChIKeyKBDWHNVZBFPHDH-UHFFFAOYSA-N
MW186.25 g/mol
LogP0.06
Rot. Bonds5

About 2-amino-N-(4-methyl-1-oxopentan-2-yl)propanamide

2-amino-N-(4-methyl-1-oxopentan-2-yl)propanamide (PubChem CID 22169553) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is 2-amino-N-(4-methyl-1-oxopentan-2-yl)propanamide.

Molecular Properties

Compound Name2-amino-N-(4-methyl-1-oxopentan-2-yl)propanamide
PubChem CID22169553
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name2-amino-N-(4-methyl-1-oxopentan-2-yl)propanamide
SMILESCC(C)CC(C=O)NC(=O)C(C)N
InChIInChI=1S/C9H18N2O2/c1-6(2)4-8(5-12)11-9(13)7(3)10/h5-8H,4,10H2,1-3H3,(H,11,13)
InChIKeyKBDWHNVZBFPHDH-UHFFFAOYSA-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-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]propanamide
CID 154573898
(2R)-2-amino-4-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]pentanamide
CID 175421037
(2S)-2-amino-N-[(2S)-1-oxobutan-2-yl]propanamide
CID 123756071
(E)-4-(2-aminopropanoylamino)-6-methylhept-2-enoic acid
CID 5364156
(2S,3R)-2-amino-3-hydroxy-4-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]pentanamide
CID 173121896
2-[[2-(2-aminopropanoylamino)-3-hydroxybutanoyl]amino]-3-methyl-N-[1-[(4-methyl-1-oxopentan-2-yl)amino]-1-oxopropan-2-yl]butanamide
CID 118618423
2-[(2-aminoacetyl)amino]-N-(4-methyl-1-oxopentan-2-yl)propanamide
CID 143591672
(2S)-2,6-diamino-N-[(2S)-4-methyl-1-oxopentan-2-yl]hexanamide
CID 54330338
2-amino-4-methyl-N-(1-oxo-3-sulfanylpropan-2-yl)pentanamide
CID 173010831
2-amino-4-methyl-N-(1-oxopentan-2-yl)pentanamide
CID 19826425
2-[[(2R)-2-aminopropanoyl]amino]-4-methylpentanoic acid
CID 78973229
(2R)-2-[[(2R)-2-aminopropanoyl]amino]-4-methylpentanoic acid
CID 6992390

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-methyl-1-oxopentan-2-yl)propanamide?
The IUPAC name of 2-amino-N-(4-methyl-1-oxopentan-2-yl)propanamide (CID 22169553) is 2-amino-N-(4-methyl-1-oxopentan-2-yl)propanamide.
What is the SMILES notation for 2-amino-N-(4-methyl-1-oxopentan-2-yl)propanamide?
The canonical SMILES for 2-amino-N-(4-methyl-1-oxopentan-2-yl)propanamide is CC(C)CC(C=O)NC(=O)C(C)N.
What is the InChIKey of 2-amino-N-(4-methyl-1-oxopentan-2-yl)propanamide?
The InChIKey is KBDWHNVZBFPHDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-6(2)4-8(5-12)11-9(13)7(3)10/h5-8H,4,10H2,1-3H3,(H,11,13).
What are the key properties of 2-amino-N-(4-methyl-1-oxopentan-2-yl)propanamide?
2-amino-N-(4-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 2-amino-N-(4-methyl-1-oxopentan-2-yl)propanamide is sourced from PubChem (CID 22169553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).