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

C9H19N3O — CID 104877076

IUPACN-[(2R)-1-aminopropan-2-yl]-1-methylpyrrolidine-3-carboxamide
SMILESC[C@H](CN)NC(=O)C1CCN(C)C1
InChIInChI=1S/C9H19N3O/c1-7(5-10)11-9(13)8-3-4-12(2)6-8/h7-8H,3-6,10H2,1-2H3,(H,11,13)/t7-,8?/m1/s1
InChIKeyACIRASGCCPVXBG-GVHYBUMESA-N
MW185.27 g/mol
LogP-0.60
Rot. Bonds3

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

N-[(2R)-1-aminopropan-2-yl]-1-methylpyrrolidine-3-carboxamide (PubChem CID 104877076) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is N-[(2R)-1-aminopropan-2-yl]-1-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-aminopropan-2-yl]-1-methylpyrrolidine-3-carboxamide
PubChem CID104877076
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC NameN-[(2R)-1-aminopropan-2-yl]-1-methylpyrrolidine-3-carboxamide
SMILESC[C@H](CN)NC(=O)C1CCN(C)C1
InChIInChI=1S/C9H19N3O/c1-7(5-10)11-9(13)8-3-4-12(2)6-8/h7-8H,3-6,10H2,1-2H3,(H,11,13)/t7-,8?/m1/s1
InChIKeyACIRASGCCPVXBG-GVHYBUMESA-N
XLogP-0.60
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 5-0.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-1-hydroxypropan-2-yl]-1-methylpyrrolidine-3-carboxamide
CID 131154627
3-amino-2-methyl-1-(1-methylpyrrolidin-3-yl)propan-1-one
CID 116915570
3-[(1-methylpiperidine-3-carbonyl)amino]butanoic acid
CID 53216017
(2R)-3-methyl-2-[(1-methylpyrrolidine-3-carbonyl)amino]butanoic acid
CID 79010718
(2R)-2-[(1-methylpyrrolidine-3-carbonyl)amino]pentanoic acid
CID 107562789
N-(1-amino-2,3-dimethylbutan-2-yl)-1-methylpyrrolidine-3-carboxamide
CID 115310482
N'-(1-hydroxyethyl)-1-methylpyrrolidine-3-carbohydrazide
CID 91110236
tert-butyl (2R)-3-methyl-2-[(1-methylpyrrolidine-3-carbonyl)amino]butanoate
CID 81003648
N-[(2S)-1-aminopropan-2-yl]-3-methylcyclohexane-1-carboxamide;hydrochloride
CID 131134215
N-[3-(aminomethyl)pentan-3-yl]-1-methylpyrrolidine-3-carboxamide
CID 63887978
2-methyl-4-[(1-methylpyrrolidine-3-carbonyl)amino]butanoic acid
CID 80539207
N-[(2S)-1-aminopropan-2-yl]-1-benzylpiperidine-3-carboxamide;dihydrochloride
CID 120507626

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-aminopropan-2-yl]-1-methylpyrrolidine-3-carboxamide?
The IUPAC name of N-[(2R)-1-aminopropan-2-yl]-1-methylpyrrolidine-3-carboxamide (CID 104877076) is N-[(2R)-1-aminopropan-2-yl]-1-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[(2R)-1-aminopropan-2-yl]-1-methylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[(2R)-1-aminopropan-2-yl]-1-methylpyrrolidine-3-carboxamide is C[C@H](CN)NC(=O)C1CCN(C)C1.
What is the InChIKey of N-[(2R)-1-aminopropan-2-yl]-1-methylpyrrolidine-3-carboxamide?
The InChIKey is ACIRASGCCPVXBG-GVHYBUMESA-N. The full InChI is InChI=1S/C9H19N3O/c1-7(5-10)11-9(13)8-3-4-12(2)6-8/h7-8H,3-6,10H2,1-2H3,(H,11,13)/t7-,8?/m1/s1.
What are the key properties of N-[(2R)-1-aminopropan-2-yl]-1-methylpyrrolidine-3-carboxamide?
N-[(2R)-1-aminopropan-2-yl]-1-methylpyrrolidine-3-carboxamide has a molecular weight of 185.27 g/mol, XLogP of -0.60, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-aminopropan-2-yl]-1-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 104877076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).