3-amino-N-(1-methylpyrrolidin-3-yl)propanamide

C8H17N3O — CID 61465444

IUPAC3-amino-N-(1-methylpyrrolidin-3-yl)propanamide
SMILESCN1CCC(NC(=O)CCN)C1
InChIInChI=1S/C8H17N3O/c1-11-5-3-7(6-11)10-8(12)2-4-9/h7H,2-6,9H2,1H3,(H,10,12)
InChIKeyZVQAIVUONCKGGH-UHFFFAOYSA-N
MW171.24 g/mol
LogP-0.84
Rot. Bonds3

About 3-amino-N-(1-methylpyrrolidin-3-yl)propanamide

3-amino-N-(1-methylpyrrolidin-3-yl)propanamide (PubChem CID 61465444) has the molecular formula C8H17N3O and a molecular weight of 171.24 g/mol. Its IUPAC name is 3-amino-N-(1-methylpyrrolidin-3-yl)propanamide.

Molecular Properties

Compound Name3-amino-N-(1-methylpyrrolidin-3-yl)propanamide
PubChem CID61465444
Molecular FormulaC8H17N3O
Molecular Weight171.24 g/mol
Exact Mass171.14
IUPAC Name3-amino-N-(1-methylpyrrolidin-3-yl)propanamide
SMILESCN1CCC(NC(=O)CCN)C1
InChIInChI=1S/C8H17N3O/c1-11-5-3-7(6-11)10-8(12)2-4-9/h7H,2-6,9H2,1H3,(H,10,12)
InChIKeyZVQAIVUONCKGGH-UHFFFAOYSA-N
XLogP-0.84
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 5-0.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-methylpyrrolidin-3-yl)butanamide
CID 18723360
4-hydroxy-N-(1-methylpyrrolidin-3-yl)butanamide
CID 79192658
5-[(1-methylpyrrolidin-3-yl)amino]-5-oxopentanoic acid
CID 61462313
N-(1-methylpyrrolidin-3-yl)-12-oxotridecanamide
CID 169229027
7-amino-N-(1-methylpiperidin-4-yl)heptanamide
CID 43373568
4-amino-N-(1-methylpyrrolidin-3-yl)-4-phenylbutanamide
CID 63324217
2-methoxy-N-[(3R)-1-methylpyrrolidin-3-yl]acetamide
CID 90442595
methyl 3-[(1-methylpyrrolidin-3-yl)amino]-3-oxopropanoate
CID 115174182
2-cyano-N-(1-methylpyrrolidin-3-yl)acetamide
CID 61465317
ethyl N-(1-methylpyrrolidin-3-yl)carbamate
CID 61355543
N-(1-methylpiperidin-3-yl)-3-pyrrolidin-1-ylpropanamide
CID 121458775
4-hydroxy-N-(1-methylpiperidin-3-yl)pentanamide
CID 79191755

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(1-methylpyrrolidin-3-yl)propanamide?
The IUPAC name of 3-amino-N-(1-methylpyrrolidin-3-yl)propanamide (CID 61465444) is 3-amino-N-(1-methylpyrrolidin-3-yl)propanamide.
What is the SMILES notation for 3-amino-N-(1-methylpyrrolidin-3-yl)propanamide?
The canonical SMILES for 3-amino-N-(1-methylpyrrolidin-3-yl)propanamide is CN1CCC(NC(=O)CCN)C1.
What is the InChIKey of 3-amino-N-(1-methylpyrrolidin-3-yl)propanamide?
The InChIKey is ZVQAIVUONCKGGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O/c1-11-5-3-7(6-11)10-8(12)2-4-9/h7H,2-6,9H2,1H3,(H,10,12).
What are the key properties of 3-amino-N-(1-methylpyrrolidin-3-yl)propanamide?
3-amino-N-(1-methylpyrrolidin-3-yl)propanamide has a molecular weight of 171.24 g/mol, XLogP of -0.84, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(1-methylpyrrolidin-3-yl)propanamide is sourced from PubChem (CID 61465444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).