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

C8H17N3O — CID 121226101

IUPAC2-amino-N-[(3S)-1-methylpyrrolidin-3-yl]propanamide
SMILESCC(N)C(=O)N[C@H]1CCN(C)C1
InChIInChI=1S/C8H17N3O/c1-6(9)8(12)10-7-3-4-11(2)5-7/h6-7H,3-5,9H2,1-2H3,(H,10,12)/t6?,7-/m0/s1
InChIKeySKPSAWOKQUBQHI-MLWJPKLSSA-N
MW171.24 g/mol
LogP-0.85
Rot. Bonds2

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

2-amino-N-[(3S)-1-methylpyrrolidin-3-yl]propanamide (PubChem CID 121226101) has the molecular formula C8H17N3O and a molecular weight of 171.24 g/mol. Its IUPAC name is 2-amino-N-[(3S)-1-methylpyrrolidin-3-yl]propanamide.

Molecular Properties

Compound Name2-amino-N-[(3S)-1-methylpyrrolidin-3-yl]propanamide
PubChem CID121226101
Molecular FormulaC8H17N3O
Molecular Weight171.24 g/mol
Exact Mass171.14
IUPAC Name2-amino-N-[(3S)-1-methylpyrrolidin-3-yl]propanamide
SMILESCC(N)C(=O)N[C@H]1CCN(C)C1
InChIInChI=1S/C8H17N3O/c1-6(9)8(12)10-7-3-4-11(2)5-7/h6-7H,3-5,9H2,1-2H3,(H,10,12)/t6?,7-/m0/s1
InChIKeySKPSAWOKQUBQHI-MLWJPKLSSA-N
XLogP-0.85
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 5-0.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-3-methyl-N-(1-methylpyrrolidin-3-yl)butanamide
CID 61465199
2-methyl-N-[(3R)-1-methylpyrrolidin-3-yl]propanamide
CID 90442555
(2R)-2-hydroxy-N-(1-methylpyrrolidin-3-yl)propanamide
CID 130918497
(3S)-3-[[(2S)-2-aminopropanoyl]amino]pyrrolidine-1-carboxylic acid
CID 70098972
(2S)-2-amino-N-(1-ethylpyrrolidin-3-yl)propanamide
CID 130979651
4-amino-5-[(1-methylpyrrolidin-3-yl)amino]-5-oxopentanoic acid
CID 64888566
1-[(3R)-1-methylpyrrolidin-3-yl]-3-propan-2-ylurea
CID 59568945
N-[(3R)-1-methylpyrrolidin-3-yl]-2-propylpentanamide
CID 167206837
2-(N'-hydroxycarbamimidoyl)-3-methyl-N-(1-methylpyrrolidin-3-yl)butanamide
CID 76925984
(2S)-2-amino-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide
CID 61146973
2,2-dimethyl-N-[(3S)-1-methylpyrrolidin-3-yl]propanamide
CID 58679843
(2R)-2-amino-N-(1-propylpiperidin-4-yl)propanamide;dihydrochloride
CID 119834920

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(3S)-1-methylpyrrolidin-3-yl]propanamide?
The IUPAC name of 2-amino-N-[(3S)-1-methylpyrrolidin-3-yl]propanamide (CID 121226101) is 2-amino-N-[(3S)-1-methylpyrrolidin-3-yl]propanamide.
What is the SMILES notation for 2-amino-N-[(3S)-1-methylpyrrolidin-3-yl]propanamide?
The canonical SMILES for 2-amino-N-[(3S)-1-methylpyrrolidin-3-yl]propanamide is CC(N)C(=O)N[C@H]1CCN(C)C1.
What is the InChIKey of 2-amino-N-[(3S)-1-methylpyrrolidin-3-yl]propanamide?
The InChIKey is SKPSAWOKQUBQHI-MLWJPKLSSA-N. The full InChI is InChI=1S/C8H17N3O/c1-6(9)8(12)10-7-3-4-11(2)5-7/h6-7H,3-5,9H2,1-2H3,(H,10,12)/t6?,7-/m0/s1.
What are the key properties of 2-amino-N-[(3S)-1-methylpyrrolidin-3-yl]propanamide?
2-amino-N-[(3S)-1-methylpyrrolidin-3-yl]propanamide has a molecular weight of 171.24 g/mol, XLogP of -0.85, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(3S)-1-methylpyrrolidin-3-yl]propanamide is sourced from PubChem (CID 121226101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).