3-(1-pyrrolidin-1-ylpropan-2-ylcarbamoylamino)propanoic acid

C11H21N3O3 — CID 54953755

IUPAC3-(1-pyrrolidin-1-ylpropan-2-ylcarbamoylamino)propanoic acid
SMILESCC(CN1CCCC1)NC(=O)NCCC(=O)O
InChIInChI=1S/C11H21N3O3/c1-9(8-14-6-2-3-7-14)13-11(17)12-5-4-10(15)16/h9H,2-8H2,1H3,(H,15,16)(H2,12,13,17)
InChIKeyNQYPBVASTMTLKG-UHFFFAOYSA-N
MW243.31 g/mol
LogP0.24
Rot. Bonds6

About 3-(1-pyrrolidin-1-ylpropan-2-ylcarbamoylamino)propanoic acid

3-(1-pyrrolidin-1-ylpropan-2-ylcarbamoylamino)propanoic acid (PubChem CID 54953755) has the molecular formula C11H21N3O3 and a molecular weight of 243.31 g/mol. Its IUPAC name is 3-(1-pyrrolidin-1-ylpropan-2-ylcarbamoylamino)propanoic acid.

Molecular Properties

Compound Name3-(1-pyrrolidin-1-ylpropan-2-ylcarbamoylamino)propanoic acid
PubChem CID54953755
Molecular FormulaC11H21N3O3
Molecular Weight243.31 g/mol
Exact Mass243.16
IUPAC Name3-(1-pyrrolidin-1-ylpropan-2-ylcarbamoylamino)propanoic acid
SMILESCC(CN1CCCC1)NC(=O)NCCC(=O)O
InChIInChI=1S/C11H21N3O3/c1-9(8-14-6-2-3-7-14)13-11(17)12-5-4-10(15)16/h9H,2-8H2,1H3,(H,15,16)(H2,12,13,17)
InChIKeyNQYPBVASTMTLKG-UHFFFAOYSA-N
XLogP0.24
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 50.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-(1-pyrrolidin-1-ylpropan-2-ylcarbamoylamino)propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-propyl-3-(1-pyrrolidin-1-ylpropan-2-yl)urea
CID 115590520
2-(1-piperidin-1-ylpropan-2-ylcarbamoylamino)acetic acid
CID 61499964
1-butyl-3-(1-pyrrolidin-1-ylpropan-2-yl)urea
CID 115590501
(2S)-2-hydroxy-4-(1-pyrrolidin-1-ylpropan-2-ylcarbamoylamino)butanoic acid
CID 107838972
1-ethyl-3-(1-pyrrolidin-1-ylpropan-2-yl)urea
CID 115590502
(2S)-2-(1-pyrrolidin-1-ylpropan-2-ylcarbamoylamino)propanoic acid
CID 54953860
3-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)carbamoylamino]propanoic acid
CID 113408719
(2S)-3-methyl-2-(1-pyrrolidin-1-ylpropan-2-ylcarbamoylamino)pentanoic acid
CID 61475973
N-(1-pyrrolidin-1-ylpropan-2-yl)acetamide
CID 61217024
(2S)-4-methyl-2-(1-pyrrolidin-1-ylpropan-2-ylcarbamoylamino)pentanoic acid
CID 61475849
2-[1-(1-pyrrolidin-1-ylpropan-2-ylcarbamoylamino)cyclobutyl]acetic acid
CID 79851533
1-(4-hydroxy-2,2-dimethylbutyl)-3-(1-piperidin-1-ylpropan-2-yl)urea
CID 111504674

Frequently Asked Questions

What is the IUPAC name of 3-(1-pyrrolidin-1-ylpropan-2-ylcarbamoylamino)propanoic acid?
The IUPAC name of 3-(1-pyrrolidin-1-ylpropan-2-ylcarbamoylamino)propanoic acid (CID 54953755) is 3-(1-pyrrolidin-1-ylpropan-2-ylcarbamoylamino)propanoic acid.
What is the SMILES notation for 3-(1-pyrrolidin-1-ylpropan-2-ylcarbamoylamino)propanoic acid?
The canonical SMILES for 3-(1-pyrrolidin-1-ylpropan-2-ylcarbamoylamino)propanoic acid is CC(CN1CCCC1)NC(=O)NCCC(=O)O.
What is the InChIKey of 3-(1-pyrrolidin-1-ylpropan-2-ylcarbamoylamino)propanoic acid?
The InChIKey is NQYPBVASTMTLKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O3/c1-9(8-14-6-2-3-7-14)13-11(17)12-5-4-10(15)16/h9H,2-8H2,1H3,(H,15,16)(H2,12,13,17).
What are the key properties of 3-(1-pyrrolidin-1-ylpropan-2-ylcarbamoylamino)propanoic acid?
3-(1-pyrrolidin-1-ylpropan-2-ylcarbamoylamino)propanoic acid has a molecular weight of 243.31 g/mol, XLogP of 0.24, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-pyrrolidin-1-ylpropan-2-ylcarbamoylamino)propanoic acid is sourced from PubChem (CID 54953755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).