2-(3-pyrrolidin-2-ylpropanoylamino)propanoic acid

C10H18N2O3 — CID 90744178

IUPAC2-(3-pyrrolidin-2-ylpropanoylamino)propanoic acid
SMILESCC(NC(=O)CCC1CCCN1)C(=O)O
InChIInChI=1S/C10H18N2O3/c1-7(10(14)15)12-9(13)5-4-8-3-2-6-11-8/h7-8,11H,2-6H2,1H3,(H,12,13)(H,14,15)
InChIKeyDALLFPJQFIAVGD-UHFFFAOYSA-N
MW214.26 g/mol
LogP0.11
Rot. Bonds5

About 2-(3-pyrrolidin-2-ylpropanoylamino)propanoic acid

2-(3-pyrrolidin-2-ylpropanoylamino)propanoic acid (PubChem CID 90744178) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is 2-(3-pyrrolidin-2-ylpropanoylamino)propanoic acid.

Molecular Properties

Compound Name2-(3-pyrrolidin-2-ylpropanoylamino)propanoic acid
PubChem CID90744178
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name2-(3-pyrrolidin-2-ylpropanoylamino)propanoic acid
SMILESCC(NC(=O)CCC1CCCN1)C(=O)O
InChIInChI=1S/C10H18N2O3/c1-7(10(14)15)12-9(13)5-4-8-3-2-6-11-8/h7-8,11H,2-6H2,1H3,(H,12,13)(H,14,15)
InChIKeyDALLFPJQFIAVGD-UHFFFAOYSA-N
XLogP0.11
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 50.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(3-piperidin-2-ylpropanoylamino)propanoic acid
CID 78986989
N-[(2R)-1-hydroxypropan-2-yl]-3-piperidin-2-ylpropanamide
CID 107218481
N-[(2S)-1-hydroxypropan-2-yl]-3-piperidin-2-ylpropanamide
CID 107218985
N-methyl-2-(3-piperidin-2-ylpropanoylamino)propanamide
CID 62212327
N-methyl-3-[(2S)-piperidin-2-yl]propanamide
CID 94374343
N-hexan-2-yl-3-piperidin-2-ylpropanamide
CID 62211669
N-tert-butyl-3-[(2R)-pyrrolidin-2-yl]propanamide
CID 154936756
2-(1-pyrrolidin-2-ylpropan-2-ylamino)propanoic acid
CID 79540937
N-(1-phenylpropyl)-3-piperidin-2-ylpropanamide
CID 62305915
N-[(1R)-1-(4-bromophenyl)ethyl]-3-piperidin-2-ylpropanamide
CID 81359749
N-(1-hydroxy-3-phenylpropan-2-yl)-3-piperidin-2-ylpropanamide
CID 63261362
N-hex-5-yn-3-yl-3-piperidin-2-ylpropanamide
CID 113477454

Frequently Asked Questions

What is the IUPAC name of 2-(3-pyrrolidin-2-ylpropanoylamino)propanoic acid?
The IUPAC name of 2-(3-pyrrolidin-2-ylpropanoylamino)propanoic acid (CID 90744178) is 2-(3-pyrrolidin-2-ylpropanoylamino)propanoic acid.
What is the SMILES notation for 2-(3-pyrrolidin-2-ylpropanoylamino)propanoic acid?
The canonical SMILES for 2-(3-pyrrolidin-2-ylpropanoylamino)propanoic acid is CC(NC(=O)CCC1CCCN1)C(=O)O.
What is the InChIKey of 2-(3-pyrrolidin-2-ylpropanoylamino)propanoic acid?
The InChIKey is DALLFPJQFIAVGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-7(10(14)15)12-9(13)5-4-8-3-2-6-11-8/h7-8,11H,2-6H2,1H3,(H,12,13)(H,14,15).
What are the key properties of 2-(3-pyrrolidin-2-ylpropanoylamino)propanoic acid?
2-(3-pyrrolidin-2-ylpropanoylamino)propanoic acid has a molecular weight of 214.26 g/mol, XLogP of 0.11, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-pyrrolidin-2-ylpropanoylamino)propanoic acid is sourced from PubChem (CID 90744178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).