(2S)-2-amino-N,4-dimethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)pentanamide

C13H25N3O2 — CID 61164738

IUPAC(2S)-2-amino-N,4-dimethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)pentanamide
SMILESCC(C)C[C@H](N)C(=O)N(C)CC(=O)N1CCCC1
InChIInChI=1S/C13H25N3O2/c1-10(2)8-11(14)13(18)15(3)9-12(17)16-6-4-5-7-16/h10-11H,4-9,14H2,1-3H3/t11-/m0/s1
InChIKeyMXAPPARQZORGGA-NSHDSACASA-N
MW255.36 g/mol
LogP0.44
Rot. Bonds5

About (2S)-2-amino-N,4-dimethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)pentanamide

(2S)-2-amino-N,4-dimethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)pentanamide (PubChem CID 61164738) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is (2S)-2-amino-N,4-dimethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)pentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N,4-dimethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)pentanamide
PubChem CID61164738
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Name(2S)-2-amino-N,4-dimethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)pentanamide
SMILESCC(C)C[C@H](N)C(=O)N(C)CC(=O)N1CCCC1
InChIInChI=1S/C13H25N3O2/c1-10(2)8-11(14)13(18)15(3)9-12(17)16-6-4-5-7-16/h10-11H,4-9,14H2,1-3H3/t11-/m0/s1
InChIKeyMXAPPARQZORGGA-NSHDSACASA-N
XLogP0.44
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)propanamide
CID 60963477
(2S)-2-amino-N-(2-amino-2-oxoethyl)-N,4-dimethylpentanamide
CID 61154178
methyl 2-[[(2R)-2-amino-4-methylpentanoyl]-methylamino]acetate
CID 104903114
(2R)-2-amino-N-[2-(dimethylamino)-2-oxoethyl]-N,4-dimethylpentanamide
CID 104902620
2-amino-4-methyl-1-pyrrolidin-1-ylpentan-1-one
CID 20500850
(2S)-2-amino-N,4-dimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pentanamide
CID 61165022
(2S)-2-amino-N-[2-(dimethylamino)-2-oxoethyl]-N,4-dimethylpentanamide;hydrochloride
CID 119687384
2-hydroxy-N-methyl-N-(2-oxo-2-piperidin-1-ylethyl)butanamide
CID 156723729
(2S)-2-amino-4-methyl-1-piperidin-1-ylpentan-1-one
CID 22690990
4-methyl-2-[[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]amino]pentanoic acid
CID 61439871
(2R)-2-amino-N-(2,2-difluoroethyl)-N,4-dimethylpentanamide
CID 104904051
2-amino-N-(cyclopentylmethyl)-N,4-dimethylpentanamide
CID 63654905

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N,4-dimethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)pentanamide?
The IUPAC name of (2S)-2-amino-N,4-dimethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)pentanamide (CID 61164738) is (2S)-2-amino-N,4-dimethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)pentanamide.
What is the SMILES notation for (2S)-2-amino-N,4-dimethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)pentanamide?
The canonical SMILES for (2S)-2-amino-N,4-dimethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)pentanamide is CC(C)C[C@H](N)C(=O)N(C)CC(=O)N1CCCC1.
What is the InChIKey of (2S)-2-amino-N,4-dimethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)pentanamide?
The InChIKey is MXAPPARQZORGGA-NSHDSACASA-N. The full InChI is InChI=1S/C13H25N3O2/c1-10(2)8-11(14)13(18)15(3)9-12(17)16-6-4-5-7-16/h10-11H,4-9,14H2,1-3H3/t11-/m0/s1.
What are the key properties of (2S)-2-amino-N,4-dimethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)pentanamide?
(2S)-2-amino-N,4-dimethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)pentanamide has a molecular weight of 255.36 g/mol, XLogP of 0.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N,4-dimethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)pentanamide is sourced from PubChem (CID 61164738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).