2-formamido-3-(1H-pyrrol-3-yl)propanoic acid

C8H10N2O3 — CID 66407177

IUPAC2-formamido-3-(1H-pyrrol-3-yl)propanoic acid
SMILESO=CNC(Cc1cc[nH]c1)C(=O)O
InChIInChI=1S/C8H10N2O3/c11-5-10-7(8(12)13)3-6-1-2-9-4-6/h1-2,4-5,7,9H,3H2,(H,10,11)(H,12,13)
InChIKeyHCJCYPMJLUDTAA-UHFFFAOYSA-N
MW182.18 g/mol
LogP-0.24
Rot. Bonds5

About 2-formamido-3-(1H-pyrrol-3-yl)propanoic acid

2-formamido-3-(1H-pyrrol-3-yl)propanoic acid (PubChem CID 66407177) has the molecular formula C8H10N2O3 and a molecular weight of 182.18 g/mol. Its IUPAC name is 2-formamido-3-(1H-pyrrol-3-yl)propanoic acid.

Molecular Properties

Compound Name2-formamido-3-(1H-pyrrol-3-yl)propanoic acid
PubChem CID66407177
Molecular FormulaC8H10N2O3
Molecular Weight182.18 g/mol
Exact Mass182.07
IUPAC Name2-formamido-3-(1H-pyrrol-3-yl)propanoic acid
SMILESO=CNC(Cc1cc[nH]c1)C(=O)O
InChIInChI=1S/C8H10N2O3/c11-5-10-7(8(12)13)3-6-1-2-9-4-6/h1-2,4-5,7,9H,3H2,(H,10,11)(H,12,13)
InChIKeyHCJCYPMJLUDTAA-UHFFFAOYSA-N
XLogP-0.24
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 5-0.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

4-(3-Pyrrolyl)butyric acid
CID 255668
3-(1H-Pyrrol-3-yl)-propionic acid
CID 22135411
2-amino-3-(1H-pyrrol-3-yl)propanoic acid
CID 14577890
(R)-2-Amino-3-(1H-pyrrol-3-yl)propanoic acid
CID 55277569
3-(1H-Pyrrol-3-yl)-L-alanine
CID 14577891
6-(Pyrrol-3-yl) hexanoic acid
CID 95436091
Methyl 3-(1H-pyrrol-3-yl)propanoate
CID 556813
4-(3-Pyrrolyl)oxobutyric acid
CID 129833081
2,2-difluoro-3-(1H-pyrrol-3-yl)propanoic acid
CID 116838258
3,3-difluoro-3-(1H-pyrrol-3-yl)propanoic acid
CID 116838375
2-amino-2-(2-fluoro-1H-pyrrol-3-yl)acetic acid
CID 129971155
3-amino-3-(2-fluoro-1H-pyrrol-3-yl)propanoic acid
CID 130147478

Frequently Asked Questions

What is the IUPAC name of 2-formamido-3-(1H-pyrrol-3-yl)propanoic acid?
The IUPAC name of 2-formamido-3-(1H-pyrrol-3-yl)propanoic acid (CID 66407177) is 2-formamido-3-(1H-pyrrol-3-yl)propanoic acid.
What is the SMILES notation for 2-formamido-3-(1H-pyrrol-3-yl)propanoic acid?
The canonical SMILES for 2-formamido-3-(1H-pyrrol-3-yl)propanoic acid is O=CNC(Cc1cc[nH]c1)C(=O)O.
What is the InChIKey of 2-formamido-3-(1H-pyrrol-3-yl)propanoic acid?
The InChIKey is HCJCYPMJLUDTAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3/c11-5-10-7(8(12)13)3-6-1-2-9-4-6/h1-2,4-5,7,9H,3H2,(H,10,11)(H,12,13).
What are the key properties of 2-formamido-3-(1H-pyrrol-3-yl)propanoic acid?
2-formamido-3-(1H-pyrrol-3-yl)propanoic acid has a molecular weight of 182.18 g/mol, XLogP of -0.24, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-formamido-3-(1H-pyrrol-3-yl)propanoic acid is sourced from PubChem (CID 66407177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).