3-(1H-pyrrole-3-carbonylamino)propanoic acid

C8H10N2O3 — CID 10655004

IUPAC3-(1H-pyrrole-3-carbonylamino)propanoic acid
SMILESO=C(O)CCNC(=O)c1cc[nH]c1
InChIInChI=1S/C8H10N2O3/c11-7(12)2-4-10-8(13)6-1-3-9-5-6/h1,3,5,9H,2,4H2,(H,10,13)(H,11,12)
InChIKeyJQLUQZGCJDTUGM-UHFFFAOYSA-N
MW182.18 g/mol
LogP0.22
Rot. Bonds4

About 3-(1H-pyrrole-3-carbonylamino)propanoic acid

3-(1H-pyrrole-3-carbonylamino)propanoic acid (PubChem CID 10655004) has the molecular formula C8H10N2O3 and a molecular weight of 182.18 g/mol. Its IUPAC name is 3-(1H-pyrrole-3-carbonylamino)propanoic acid.

Molecular Properties

Compound Name3-(1H-pyrrole-3-carbonylamino)propanoic acid
PubChem CID10655004
Molecular FormulaC8H10N2O3
Molecular Weight182.18 g/mol
Exact Mass182.07
IUPAC Name3-(1H-pyrrole-3-carbonylamino)propanoic acid
SMILESO=C(O)CCNC(=O)c1cc[nH]c1
InChIInChI=1S/C8H10N2O3/c11-7(12)2-4-10-8(13)6-1-3-9-5-6/h1,3,5,9H,2,4H2,(H,10,13)(H,11,12)
InChIKeyJQLUQZGCJDTUGM-UHFFFAOYSA-N
XLogP0.22
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 50.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-pyrrole-3-carbonylamino)propanoic acid?
The IUPAC name of 3-(1H-pyrrole-3-carbonylamino)propanoic acid (CID 10655004) is 3-(1H-pyrrole-3-carbonylamino)propanoic acid.
What is the SMILES notation for 3-(1H-pyrrole-3-carbonylamino)propanoic acid?
The canonical SMILES for 3-(1H-pyrrole-3-carbonylamino)propanoic acid is O=C(O)CCNC(=O)c1cc[nH]c1.
What is the InChIKey of 3-(1H-pyrrole-3-carbonylamino)propanoic acid?
The InChIKey is JQLUQZGCJDTUGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3/c11-7(12)2-4-10-8(13)6-1-3-9-5-6/h1,3,5,9H,2,4H2,(H,10,13)(H,11,12).
What are the key properties of 3-(1H-pyrrole-3-carbonylamino)propanoic acid?
3-(1H-pyrrole-3-carbonylamino)propanoic acid has a molecular weight of 182.18 g/mol, XLogP of 0.22, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-pyrrole-3-carbonylamino)propanoic acid is sourced from PubChem (CID 10655004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).