2-[(2,5-dimethyl-1H-pyrrole-3-carbonyl)amino]acetic acid

C9H12N2O3 — CID 130609460

IUPAC2-[(2,5-dimethyl-1H-pyrrole-3-carbonyl)amino]acetic acid
SMILESCc1cc(C(=O)NCC(=O)O)c(C)[nH]1
InChIInChI=1S/C9H12N2O3/c1-5-3-7(6(2)11-5)9(14)10-4-8(12)13/h3,11H,4H2,1-2H3,(H,10,14)(H,12,13)
InChIKeyYQYXZUIQTLYQIF-UHFFFAOYSA-N
MW196.21 g/mol
LogP0.45
Rot. Bonds3

About 2-[(2,5-dimethyl-1H-pyrrole-3-carbonyl)amino]acetic acid

2-[(2,5-dimethyl-1H-pyrrole-3-carbonyl)amino]acetic acid (PubChem CID 130609460) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is 2-[(2,5-dimethyl-1H-pyrrole-3-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(2,5-dimethyl-1H-pyrrole-3-carbonyl)amino]acetic acid
PubChem CID130609460
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Name2-[(2,5-dimethyl-1H-pyrrole-3-carbonyl)amino]acetic acid
SMILESCc1cc(C(=O)NCC(=O)O)c(C)[nH]1
InChIInChI=1S/C9H12N2O3/c1-5-3-7(6(2)11-5)9(14)10-4-8(12)13/h3,11H,4H2,1-2H3,(H,10,14)(H,12,13)
InChIKeyYQYXZUIQTLYQIF-UHFFFAOYSA-N
XLogP0.45
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 50.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2,5-dimethylthiophene-3-carbonyl)amino]acetic acid
CID 43354495
4-[2-[(2,5-dimethyl-1H-pyrrole-3-carbonyl)amino]ethyl]benzoic acid
CID 138042530
2,5-dimethyl-N-propan-2-yl-1H-pyrrole-3-carboxamide
CID 110766101
4-[[(2,5-dimethyl-1H-pyrrole-3-carbonyl)amino]methyl]piperidine-1-carboxylic acid
CID 90695043
N-(furan-2-ylmethyl)-2,5-dimethyl-1H-pyrrole-3-carboxamide
CID 110766123
2-[[2-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]acetyl]amino]acetic acid
CID 113451591
N-butan-2-yl-2,5-dimethyl-1H-pyrrole-3-carboxamide
CID 110766106
N-[2-(4-methoxyphenyl)ethyl]-2,5-dimethyl-1H-pyrrole-3-carboxamide
CID 110766148
2-(2,5-dimethyl-1H-pyrrol-3-yl)acetic acid
CID 82490406
2-[(2,3,5,6-tetramethylbenzoyl)amino]acetic acid
CID 82476162
N-[2-(1H-indol-3-yl)ethyl]-2,5-dimethyl-1H-pyrrole-3-carboxamide
CID 110766157
2-[(6-ethyl-5-iodo-2-oxo-1H-pyridine-3-carbonyl)amino]acetic acid
CID 125473190

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dimethyl-1H-pyrrole-3-carbonyl)amino]acetic acid?
The IUPAC name of 2-[(2,5-dimethyl-1H-pyrrole-3-carbonyl)amino]acetic acid (CID 130609460) is 2-[(2,5-dimethyl-1H-pyrrole-3-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[(2,5-dimethyl-1H-pyrrole-3-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[(2,5-dimethyl-1H-pyrrole-3-carbonyl)amino]acetic acid is Cc1cc(C(=O)NCC(=O)O)c(C)[nH]1.
What is the InChIKey of 2-[(2,5-dimethyl-1H-pyrrole-3-carbonyl)amino]acetic acid?
The InChIKey is YQYXZUIQTLYQIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c1-5-3-7(6(2)11-5)9(14)10-4-8(12)13/h3,11H,4H2,1-2H3,(H,10,14)(H,12,13).
What are the key properties of 2-[(2,5-dimethyl-1H-pyrrole-3-carbonyl)amino]acetic acid?
2-[(2,5-dimethyl-1H-pyrrole-3-carbonyl)amino]acetic acid has a molecular weight of 196.21 g/mol, XLogP of 0.45, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dimethyl-1H-pyrrole-3-carbonyl)amino]acetic acid is sourced from PubChem (CID 130609460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).