(2S)-2-amino-N-(2-amino-2-oxoethyl)-N,4-dimethylpentanamide

C9H19N3O2 — CID 61154178

IUPAC(2S)-2-amino-N-(2-amino-2-oxoethyl)-N,4-dimethylpentanamide
SMILESCC(C)C[C@H](N)C(=O)N(C)CC(N)=O
InChIInChI=1S/C9H19N3O2/c1-6(2)4-7(10)9(14)12(3)5-8(11)13/h6-7H,4-5,10H2,1-3H3,(H2,11,13)/t7-/m0/s1
InChIKeyLAOKMKDLZYKQPJ-ZETCQYMHSA-N
MW201.27 g/mol
LogP-0.70
Rot. Bonds5

About (2S)-2-amino-N-(2-amino-2-oxoethyl)-N,4-dimethylpentanamide

(2S)-2-amino-N-(2-amino-2-oxoethyl)-N,4-dimethylpentanamide (PubChem CID 61154178) has the molecular formula C9H19N3O2 and a molecular weight of 201.27 g/mol. Its IUPAC name is (2S)-2-amino-N-(2-amino-2-oxoethyl)-N,4-dimethylpentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(2-amino-2-oxoethyl)-N,4-dimethylpentanamide
PubChem CID61154178
Molecular FormulaC9H19N3O2
Molecular Weight201.27 g/mol
Exact Mass201.15
IUPAC Name(2S)-2-amino-N-(2-amino-2-oxoethyl)-N,4-dimethylpentanamide
SMILESCC(C)C[C@H](N)C(=O)N(C)CC(N)=O
InChIInChI=1S/C9H19N3O2/c1-6(2)4-7(10)9(14)12(3)5-8(11)13/h6-7H,4-5,10H2,1-3H3,(H2,11,13)/t7-/m0/s1
InChIKeyLAOKMKDLZYKQPJ-ZETCQYMHSA-N
XLogP-0.70
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 5-0.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-N-[2-(dimethylamino)-2-oxoethyl]-N,4-dimethylpentanamide
CID 104902620
(2S)-2-amino-N,N-bis(2-amino-2-oxoethyl)-4-methylpentanamide
CID 62922094
(2S)-2-amino-N-[2-(dimethylamino)-2-oxoethyl]-N,4-dimethylpentanamide;hydrochloride
CID 119687384
methyl 2-[[(2R)-2-amino-4-methylpentanoyl]-methylamino]acetate
CID 104903114
2-amino-N-(2-amino-2-oxoethyl)-N-methylbutanamide
CID 43649583
(2S)-2-amino-N-(2-amino-2-oxoethyl)-N-methylbutanamide
CID 79025132
(2S)-2-amino-N-(2-amino-2-oxoethyl)-4-methyl-N-propan-2-ylpentanamide
CID 61154043
(2S)-2-amino-N,4-dimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pentanamide
CID 61165022
(2R)-2-amino-N-(2,2-difluoroethyl)-N,4-dimethylpentanamide
CID 104904051
2-amino-N,4-dimethylpentanehydrazide
CID 116848873
(2S)-2-amino-N,4-dimethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)pentanamide
CID 61164738
(2S)-2-amino-N-(2-methoxyethyl)-N,4-dimethylpentanamide
CID 61159296

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(2-amino-2-oxoethyl)-N,4-dimethylpentanamide?
The IUPAC name of (2S)-2-amino-N-(2-amino-2-oxoethyl)-N,4-dimethylpentanamide (CID 61154178) is (2S)-2-amino-N-(2-amino-2-oxoethyl)-N,4-dimethylpentanamide.
What is the SMILES notation for (2S)-2-amino-N-(2-amino-2-oxoethyl)-N,4-dimethylpentanamide?
The canonical SMILES for (2S)-2-amino-N-(2-amino-2-oxoethyl)-N,4-dimethylpentanamide is CC(C)C[C@H](N)C(=O)N(C)CC(N)=O.
What is the InChIKey of (2S)-2-amino-N-(2-amino-2-oxoethyl)-N,4-dimethylpentanamide?
The InChIKey is LAOKMKDLZYKQPJ-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H19N3O2/c1-6(2)4-7(10)9(14)12(3)5-8(11)13/h6-7H,4-5,10H2,1-3H3,(H2,11,13)/t7-/m0/s1.
What are the key properties of (2S)-2-amino-N-(2-amino-2-oxoethyl)-N,4-dimethylpentanamide?
(2S)-2-amino-N-(2-amino-2-oxoethyl)-N,4-dimethylpentanamide has a molecular weight of 201.27 g/mol, XLogP of -0.70, 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-(2-amino-2-oxoethyl)-N,4-dimethylpentanamide is sourced from PubChem (CID 61154178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).