3-amino-4-methyl-N-propan-2-ylpyrrolidine-1-carboxamide

C9H19N3O — CID 103576202

IUPAC3-amino-4-methyl-N-propan-2-ylpyrrolidine-1-carboxamide
SMILESCC(C)NC(=O)N1CC(C)C(N)C1
InChIInChI=1S/C9H19N3O/c1-6(2)11-9(13)12-4-7(3)8(10)5-12/h6-8H,4-5,10H2,1-3H3,(H,11,13)
InChIKeyUNIIEDQPBMVUIL-UHFFFAOYSA-N
MW185.27 g/mol
LogP0.38
Rot. Bonds1

About 3-amino-4-methyl-N-propan-2-ylpyrrolidine-1-carboxamide

3-amino-4-methyl-N-propan-2-ylpyrrolidine-1-carboxamide (PubChem CID 103576202) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is 3-amino-4-methyl-N-propan-2-ylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-amino-4-methyl-N-propan-2-ylpyrrolidine-1-carboxamide
PubChem CID103576202
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC Name3-amino-4-methyl-N-propan-2-ylpyrrolidine-1-carboxamide
SMILESCC(C)NC(=O)N1CC(C)C(N)C1
InChIInChI=1S/C9H19N3O/c1-6(2)11-9(13)12-4-7(3)8(10)5-12/h6-8H,4-5,10H2,1-3H3,(H,11,13)
InChIKeyUNIIEDQPBMVUIL-UHFFFAOYSA-N
XLogP0.38
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3S,4S)-3-(2-aminoethyl)-4-methyl-N-propan-2-ylpyrrolidine-1-carboxamide
CID 165444731
4-amino-3-ethyl-N-propan-2-ylpiperidine-1-carboxamide
CID 81458117
1-(3-amino-4-methylpyrrolidin-1-yl)ethanone
CID 82594406
(3aR,6aS)-5-oxo-N-propan-2-yl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide
CID 59614286
(3R,5S)-3-hydroxy-5-methyl-N-propan-2-ylpiperidine-1-carboxamide
CID 130900909
(2R)-2-[(3,4-dimethylpyrrolidine-1-carbonyl)amino]-3-methylbutanoic acid
CID 79180632
N-propan-2-ylazetidine-1-carboxamide
CID 126972093
(2S)-2-methyl-N-propan-2-ylmorpholine-4-carboxamide
CID 167135155
1-(3-amino-4-methylpyrrolidin-1-yl)-2,2-difluoropropan-1-one
CID 130934837
(3-amino-4-methylpyrrolidin-1-yl)-(3-methyloxolan-2-yl)methanone
CID 103575749
1-(3-amino-4-methylpyrrolidin-1-yl)-2-cyclohexylethanone
CID 103576127
methyl (2S)-2-[[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]amino]propanoate
CID 941681

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-methyl-N-propan-2-ylpyrrolidine-1-carboxamide?
The IUPAC name of 3-amino-4-methyl-N-propan-2-ylpyrrolidine-1-carboxamide (CID 103576202) is 3-amino-4-methyl-N-propan-2-ylpyrrolidine-1-carboxamide.
What is the SMILES notation for 3-amino-4-methyl-N-propan-2-ylpyrrolidine-1-carboxamide?
The canonical SMILES for 3-amino-4-methyl-N-propan-2-ylpyrrolidine-1-carboxamide is CC(C)NC(=O)N1CC(C)C(N)C1.
What is the InChIKey of 3-amino-4-methyl-N-propan-2-ylpyrrolidine-1-carboxamide?
The InChIKey is UNIIEDQPBMVUIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O/c1-6(2)11-9(13)12-4-7(3)8(10)5-12/h6-8H,4-5,10H2,1-3H3,(H,11,13).
What are the key properties of 3-amino-4-methyl-N-propan-2-ylpyrrolidine-1-carboxamide?
3-amino-4-methyl-N-propan-2-ylpyrrolidine-1-carboxamide has a molecular weight of 185.27 g/mol, XLogP of 0.38, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-methyl-N-propan-2-ylpyrrolidine-1-carboxamide is sourced from PubChem (CID 103576202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).