(2S)-2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-methylpentanamide

C13H27N3O — CID 61173867

IUPAC(2S)-2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-methylpentanamide
SMILESCCC(C)[C@H](N)C(=O)NCC1CCCN1CC
InChIInChI=1S/C13H27N3O/c1-4-10(3)12(14)13(17)15-9-11-7-6-8-16(11)5-2/h10-12H,4-9,14H2,1-3H3,(H,15,17)/t10?,11?,12-/m0/s1
InChIKeyVCLGQFZCLYCOTD-MCIGGMRASA-N
MW241.38 g/mol
LogP0.96
Rot. Bonds6

About (2S)-2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-methylpentanamide

(2S)-2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-methylpentanamide (PubChem CID 61173867) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is (2S)-2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-methylpentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-methylpentanamide
PubChem CID61173867
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Name(2S)-2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-methylpentanamide
SMILESCCC(C)[C@H](N)C(=O)NCC1CCCN1CC
InChIInChI=1S/C13H27N3O/c1-4-10(3)12(14)13(17)15-9-11-7-6-8-16(11)5-2/h10-12H,4-9,14H2,1-3H3,(H,15,17)/t10?,11?,12-/m0/s1
InChIKeyVCLGQFZCLYCOTD-MCIGGMRASA-N
XLogP0.96
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-3,3-dimethylbutanamide;dihydrochloride
CID 119829033
2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-5-methoxypentanamide
CID 81080945
2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-methylsulfonylbutanamide
CID 24707630
N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide;methane
CID 159182126
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-N'-(2-methylpropyl)oxamide
CID 7320188
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-phenylpropanamide
CID 70678323
(2R)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-phenylpropanamide
CID 98789122
N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide;methanethiol
CID 143677911
2-amino-3-methyl-N-[(2-methylcyclopropyl)methyl]pentanamide
CID 115738399
2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]cyclopropane-1-carboxamide
CID 114995304
2,2,2-trifluoroethyl N-[(1-ethylpyrrolidin-2-yl)methyl]carbamate
CID 65173333
2-[(1-ethylpyrrolidin-2-yl)methylamino]-N-(2-methoxyethyl)propanamide
CID 43087685

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-methylpentanamide?
The IUPAC name of (2S)-2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-methylpentanamide (CID 61173867) is (2S)-2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-methylpentanamide.
What is the SMILES notation for (2S)-2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-methylpentanamide?
The canonical SMILES for (2S)-2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-methylpentanamide is CCC(C)[C@H](N)C(=O)NCC1CCCN1CC.
What is the InChIKey of (2S)-2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-methylpentanamide?
The InChIKey is VCLGQFZCLYCOTD-MCIGGMRASA-N. The full InChI is InChI=1S/C13H27N3O/c1-4-10(3)12(14)13(17)15-9-11-7-6-8-16(11)5-2/h10-12H,4-9,14H2,1-3H3,(H,15,17)/t10?,11?,12-/m0/s1.
What are the key properties of (2S)-2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-methylpentanamide?
(2S)-2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-methylpentanamide has a molecular weight of 241.38 g/mol, XLogP of 0.96, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-methylpentanamide is sourced from PubChem (CID 61173867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).