2-[3-methyl-5-(methylamino)-1H-pyrrol-2-yl]acetic acid;hydrochloride

C8H13ClN2O2 — CID 91433435

IUPAC2-[3-methyl-5-(methylamino)-1H-pyrrol-2-yl]acetic acid;hydrochloride
SMILESCNc1cc(C)c(CC(=O)O)[nH]1.Cl
InChIInChI=1S/C8H12N2O2.ClH/c1-5-3-7(9-2)10-6(5)4-8(11)12;/h3,9-10H,4H2,1-2H3,(H,11,12);1H
InChIKeyCLRIGMZZZDXFKP-UHFFFAOYSA-N
MW204.66 g/mol
LogP1.41
Rot. Bonds3

About 2-[3-methyl-5-(methylamino)-1H-pyrrol-2-yl]acetic acid;hydrochloride

2-[3-methyl-5-(methylamino)-1H-pyrrol-2-yl]acetic acid;hydrochloride (PubChem CID 91433435) has the molecular formula C8H13ClN2O2 and a molecular weight of 204.66 g/mol. Its IUPAC name is 2-[3-methyl-5-(methylamino)-1H-pyrrol-2-yl]acetic acid;hydrochloride.

Molecular Properties

Compound Name2-[3-methyl-5-(methylamino)-1H-pyrrol-2-yl]acetic acid;hydrochloride
PubChem CID91433435
Molecular FormulaC8H13ClN2O2
Molecular Weight204.66 g/mol
Exact Mass204.07
IUPAC Name2-[3-methyl-5-(methylamino)-1H-pyrrol-2-yl]acetic acid;hydrochloride
SMILESCNc1cc(C)c(CC(=O)O)[nH]1.Cl
InChIInChI=1S/C8H12N2O2.ClH/c1-5-3-7(9-2)10-6(5)4-8(11)12;/h3,9-10H,4H2,1-2H3,(H,11,12);1H
InChIKeyCLRIGMZZZDXFKP-UHFFFAOYSA-N
XLogP1.41
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.66
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

5-(bromomethyl)-N,4-dimethyl-1H-pyrrol-2-amine
CID 21051491
2-[4-(carboxymethyl)-2,5-dimethylphenyl]acetic acid
CID 658274
2-[5-[(Z)-(3-ethyl-4-methyl-5-oxopyrrol-2-ylidene)methyl]-3-methyl-1H-pyrrol-2-yl]acetic acid
CID 101348377
2-(2,5-dimethyl-1H-pyrrol-3-yl)acetic acid
CID 82490406
2-[2-(methylamino)-6-oxo-1H-pyrimidin-5-yl]acetic acid
CID 84658879
2-(2-methyl-1H-imidazol-5-yl)acetic acid;hydrochloride
CID 67010725
2-[7,10-bis(carboxymethyl)-3,6,11-trimethyltriphenylen-2-yl]acetic acid
CID 134370983
2-(4-chloro-2,3-dimethylphenyl)acetic acid
CID 66771246
2-(2,3-dichloro-4-methylphenyl)acetic acid
CID 119014032
2-(5-formyl-4-methyl-1H-pyrrol-2-yl)acetic acid
CID 143553249
2-(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)acetic acid
CID 82526321
2-(4-fluoro-2-methylphenyl)acetic acid
CID 5016950

Frequently Asked Questions

What is the IUPAC name of 2-[3-methyl-5-(methylamino)-1H-pyrrol-2-yl]acetic acid;hydrochloride?
The IUPAC name of 2-[3-methyl-5-(methylamino)-1H-pyrrol-2-yl]acetic acid;hydrochloride (CID 91433435) is 2-[3-methyl-5-(methylamino)-1H-pyrrol-2-yl]acetic acid;hydrochloride.
What is the SMILES notation for 2-[3-methyl-5-(methylamino)-1H-pyrrol-2-yl]acetic acid;hydrochloride?
The canonical SMILES for 2-[3-methyl-5-(methylamino)-1H-pyrrol-2-yl]acetic acid;hydrochloride is CNc1cc(C)c(CC(=O)O)[nH]1.Cl.
What is the InChIKey of 2-[3-methyl-5-(methylamino)-1H-pyrrol-2-yl]acetic acid;hydrochloride?
The InChIKey is CLRIGMZZZDXFKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2.ClH/c1-5-3-7(9-2)10-6(5)4-8(11)12;/h3,9-10H,4H2,1-2H3,(H,11,12);1H.
What are the key properties of 2-[3-methyl-5-(methylamino)-1H-pyrrol-2-yl]acetic acid;hydrochloride?
2-[3-methyl-5-(methylamino)-1H-pyrrol-2-yl]acetic acid;hydrochloride has a molecular weight of 204.66 g/mol, XLogP of 1.41, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methyl-5-(methylamino)-1H-pyrrol-2-yl]acetic acid;hydrochloride is sourced from PubChem (CID 91433435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).