N-[(2S)-1-aminopropan-2-yl]-4-methylpyrrolidine-3-carboxamide

C9H19N3O — CID 130778578

IUPACN-[(2S)-1-aminopropan-2-yl]-4-methylpyrrolidine-3-carboxamide
SMILESCC1CNCC1C(=O)N[C@@H](C)CN
InChIInChI=1S/C9H19N3O/c1-6-4-11-5-8(6)9(13)12-7(2)3-10/h6-8,11H,3-5,10H2,1-2H3,(H,12,13)/t6?,7-,8?/m0/s1
InChIKeyATGJGUSAAUPMCC-WTIBDHCWSA-N
MW185.27 g/mol
LogP-0.69
Rot. Bonds3

About N-[(2S)-1-aminopropan-2-yl]-4-methylpyrrolidine-3-carboxamide

N-[(2S)-1-aminopropan-2-yl]-4-methylpyrrolidine-3-carboxamide (PubChem CID 130778578) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is N-[(2S)-1-aminopropan-2-yl]-4-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-aminopropan-2-yl]-4-methylpyrrolidine-3-carboxamide
PubChem CID130778578
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC NameN-[(2S)-1-aminopropan-2-yl]-4-methylpyrrolidine-3-carboxamide
SMILESCC1CNCC1C(=O)N[C@@H](C)CN
InChIInChI=1S/C9H19N3O/c1-6-4-11-5-8(6)9(13)12-7(2)3-10/h6-8,11H,3-5,10H2,1-2H3,(H,12,13)/t6?,7-,8?/m0/s1
InChIKeyATGJGUSAAUPMCC-WTIBDHCWSA-N
XLogP-0.69
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 5-0.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-hydroxypropan-2-yl)-4-methylpyrrolidine-3-carboxamide
CID 63714919
(3S,4S)-N-(1-hydroxypropan-2-yl)-4-methylpyrrolidine-3-carboxamide;hydrochloride
CID 130719913
4-methyl-N-pentan-2-ylpyrrolidine-3-carboxamide
CID 63720958
N-[4-(dimethylamino)butan-2-yl]-4-methylpyrrolidine-3-carboxamide
CID 63714179
4-methyl-N-octan-2-ylpyrrolidine-3-carboxamide
CID 63714459
N-(4-ethylsulfanylbutan-2-yl)-4-methylpyrrolidine-3-carboxamide
CID 115747672
N-[1-(diethylamino)propan-2-yl]-4-methylpyrrolidine-3-carboxamide
CID 63715172
N-(3-ethylpentan-2-yl)-4-methylpyrrolidine-3-carboxamide
CID 63843859
N-(3,3-dimethylbutan-2-yl)-4-methylpyrrolidine-3-carboxamide
CID 115747511
4-methyl-2-[[(3S,4S)-4-methylpyrrolidine-3-carbonyl]amino]pentanoic acid
CID 114084816
N-[1-(4-chlorophenyl)propan-2-yl]-4-methylpyrrolidine-3-carboxamide
CID 63714601
N-[1-(dimethylamino)-1-oxopropan-2-yl]-4-methylpyrrolidine-3-carboxamide
CID 63715088

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-aminopropan-2-yl]-4-methylpyrrolidine-3-carboxamide?
The IUPAC name of N-[(2S)-1-aminopropan-2-yl]-4-methylpyrrolidine-3-carboxamide (CID 130778578) is N-[(2S)-1-aminopropan-2-yl]-4-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[(2S)-1-aminopropan-2-yl]-4-methylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[(2S)-1-aminopropan-2-yl]-4-methylpyrrolidine-3-carboxamide is CC1CNCC1C(=O)N[C@@H](C)CN.
What is the InChIKey of N-[(2S)-1-aminopropan-2-yl]-4-methylpyrrolidine-3-carboxamide?
The InChIKey is ATGJGUSAAUPMCC-WTIBDHCWSA-N. The full InChI is InChI=1S/C9H19N3O/c1-6-4-11-5-8(6)9(13)12-7(2)3-10/h6-8,11H,3-5,10H2,1-2H3,(H,12,13)/t6?,7-,8?/m0/s1.
What are the key properties of N-[(2S)-1-aminopropan-2-yl]-4-methylpyrrolidine-3-carboxamide?
N-[(2S)-1-aminopropan-2-yl]-4-methylpyrrolidine-3-carboxamide has a molecular weight of 185.27 g/mol, XLogP of -0.69, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-aminopropan-2-yl]-4-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 130778578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).