(2R)-2-amino-4-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]pentanamide

C12H24N2O2 — CID 175421037

IUPAC(2R)-2-amino-4-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]pentanamide
SMILESCC(C)C[C@@H](C=O)NC(=O)[C@H](N)CC(C)C
InChIInChI=1S/C12H24N2O2/c1-8(2)5-10(7-15)14-12(16)11(13)6-9(3)4/h7-11H,5-6,13H2,1-4H3,(H,14,16)/t10-,11+/m0/s1
InChIKeyUJGYSOUSSLZXIH-WDEREUQCSA-N
MW228.34 g/mol
LogP1.09
Rot. Bonds7

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

(2R)-2-amino-4-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]pentanamide (PubChem CID 175421037) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is (2R)-2-amino-4-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]pentanamide.

Molecular Properties

Compound Name(2R)-2-amino-4-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]pentanamide
PubChem CID175421037
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name(2R)-2-amino-4-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]pentanamide
SMILESCC(C)C[C@@H](C=O)NC(=O)[C@H](N)CC(C)C
InChIInChI=1S/C12H24N2O2/c1-8(2)5-10(7-15)14-12(16)11(13)6-9(3)4/h7-11H,5-6,13H2,1-4H3,(H,14,16)/t10-,11+/m0/s1
InChIKeyUJGYSOUSSLZXIH-WDEREUQCSA-N
XLogP1.09
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.09
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

2-amino-4-methyl-N-(1-oxo-3-sulfanylpropan-2-yl)pentanamide
CID 173010831
2-amino-N-(4-methyl-1-oxopentan-2-yl)propanamide
CID 22169553
2-amino-4-methyl-N-(1-oxopentan-2-yl)pentanamide
CID 19826425
(2S)-2,6-diamino-N-[(2S)-4-methyl-1-oxopentan-2-yl]hexanamide
CID 54330338
(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
(2S,3R)-2-amino-3-hydroxy-4-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]pentanamide
CID 173121896
2-[(2-aminoacetyl)amino]-N-(4-methyl-1-oxopentan-2-yl)propanamide
CID 143591672
N-[[(2S)-2-amino-4-methylpentanoyl]amino]formamide
CID 170202980
(2S)-2-amino-N-[(2S,3R)-3-hydroxy-1-[[(2S)-3-methyl-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]-4-methylpentanamide
CID 173062226
(2R)-2-amino-N-hydroxy-4-methylpentanamide
CID 6951121
2-amino-N-[5-(diaminomethylideneamino)-1-oxopentan-2-yl]-4-methylpentanamide;1,1-diethoxyethane
CID 87743939
(2S)-2-amino-3-hydroxy-N-[(2S)-1-hydroxy-3-oxopropan-2-yl]propanamide
CID 56620684

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-4-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]pentanamide?
The IUPAC name of (2R)-2-amino-4-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]pentanamide (CID 175421037) is (2R)-2-amino-4-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]pentanamide.
What is the SMILES notation for (2R)-2-amino-4-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]pentanamide?
The canonical SMILES for (2R)-2-amino-4-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]pentanamide is CC(C)C[C@@H](C=O)NC(=O)[C@H](N)CC(C)C.
What is the InChIKey of (2R)-2-amino-4-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]pentanamide?
The InChIKey is UJGYSOUSSLZXIH-WDEREUQCSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-8(2)5-10(7-15)14-12(16)11(13)6-9(3)4/h7-11H,5-6,13H2,1-4H3,(H,14,16)/t10-,11+/m0/s1.
What are the key properties of (2R)-2-amino-4-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]pentanamide?
(2R)-2-amino-4-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]pentanamide has a molecular weight of 228.34 g/mol, XLogP of 1.09, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-4-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]pentanamide is sourced from PubChem (CID 175421037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).