(2S)-2-amino-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide

C9H19N3O — CID 61146973

IUPAC(2S)-2-amino-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide
SMILESC[C@H](N)C(=O)NCC1CCN(C)C1
InChIInChI=1S/C9H19N3O/c1-7(10)9(13)11-5-8-3-4-12(2)6-8/h7-8H,3-6,10H2,1-2H3,(H,11,13)/t7-,8?/m0/s1
InChIKeyRPVUIRWXEFCHRS-JAMMHHFISA-N
MW185.27 g/mol
LogP-0.60
Rot. Bonds3

About (2S)-2-amino-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide

(2S)-2-amino-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide (PubChem CID 61146973) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is (2S)-2-amino-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide
PubChem CID61146973
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC Name(2S)-2-amino-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide
SMILESC[C@H](N)C(=O)NCC1CCN(C)C1
InChIInChI=1S/C9H19N3O/c1-7(10)9(13)11-5-8-3-4-12(2)6-8/h7-8H,3-6,10H2,1-2H3,(H,11,13)/t7-,8?/m0/s1
InChIKeyRPVUIRWXEFCHRS-JAMMHHFISA-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

(2R)-2-amino-N-[(1-propylpiperidin-4-yl)methyl]propanamide
CID 119861450
2-amino-N-(cyclopropylmethyl)propanamide
CID 24690233
2-(azetidin-3-yl)-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide
CID 116675896
(2R)-2-amino-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]propanamide;dihydrochloride
CID 119854697
2,3-dimethyl-4-[(1-methylpiperidin-4-yl)methylamino]-4-oxobutanoic acid
CID 103498156
(2S)-2-amino-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]propanamide
CID 61149354
2-amino-N-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]methyl]propanamide
CID 119862705
2-(3-aminocyclohexyl)-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide
CID 106592732
tert-butyl (3S)-3-[[[(2S)-2-aminopropanoyl]amino]methyl]pyrrolidine-1-carboxylate
CID 96552151
2-amino-N-(cyclohexylmethyl)propanamide
CID 43215382
(2S)-2-amino-N-[(1-methylpiperidin-4-yl)methyl]butanamide;dihydrochloride
CID 119866906
(2R)-2-amino-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]propanamide
CID 119336692

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide?
The IUPAC name of (2S)-2-amino-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide (CID 61146973) is (2S)-2-amino-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide.
What is the SMILES notation for (2S)-2-amino-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide?
The canonical SMILES for (2S)-2-amino-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide is C[C@H](N)C(=O)NCC1CCN(C)C1.
What is the InChIKey of (2S)-2-amino-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide?
The InChIKey is RPVUIRWXEFCHRS-JAMMHHFISA-N. The full InChI is InChI=1S/C9H19N3O/c1-7(10)9(13)11-5-8-3-4-12(2)6-8/h7-8H,3-6,10H2,1-2H3,(H,11,13)/t7-,8?/m0/s1.
What are the key properties of (2S)-2-amino-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide?
(2S)-2-amino-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide 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 (2S)-2-amino-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide is sourced from PubChem (CID 61146973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).