2-[1-(1H-pyrrole-2-carbonylamino)cyclohexyl]acetic acid

C13H18N2O3 — CID 64670962

IUPAC2-[1-(1H-pyrrole-2-carbonylamino)cyclohexyl]acetic acid
SMILESO=C(O)CC1(NC(=O)c2ccc[nH]2)CCCCC1
InChIInChI=1S/C13H18N2O3/c16-11(17)9-13(6-2-1-3-7-13)15-12(18)10-5-4-8-14-10/h4-5,8,14H,1-3,6-7,9H2,(H,15,18)(H,16,17)
InChIKeyLCZDGODRDNLPBI-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.92
Rot. Bonds4

About 2-[1-(1H-pyrrole-2-carbonylamino)cyclohexyl]acetic acid

2-[1-(1H-pyrrole-2-carbonylamino)cyclohexyl]acetic acid (PubChem CID 64670962) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-[1-(1H-pyrrole-2-carbonylamino)cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-(1H-pyrrole-2-carbonylamino)cyclohexyl]acetic acid
PubChem CID64670962
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name2-[1-(1H-pyrrole-2-carbonylamino)cyclohexyl]acetic acid
SMILESO=C(O)CC1(NC(=O)c2ccc[nH]2)CCCCC1
InChIInChI=1S/C13H18N2O3/c16-11(17)9-13(6-2-1-3-7-13)15-12(18)10-5-4-8-14-10/h4-5,8,14H,1-3,6-7,9H2,(H,15,18)(H,16,17)
InChIKeyLCZDGODRDNLPBI-UHFFFAOYSA-N
XLogP1.92
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[(4-bromo-1H-pyrrole-2-carbonyl)amino]cyclopentyl]acetic acid
CID 64671811
2-[1-[(2-fluoro-6-hydroxybenzoyl)amino]cyclohexyl]acetic acid
CID 107013634
2-[1-[(4-methylbenzoyl)amino]cyclohexyl]acetic acid
CID 64671347
2-[1-[(2-phenylacetyl)amino]cyclohexyl]acetic acid
CID 64671959
2-[1-[(4-iodobenzoyl)amino]cyclopentyl]acetic acid
CID 64672187
2-[1-(thiophene-3-carbonylamino)cyclohexyl]acetic acid
CID 64670782
2-[1-[(4-ethylbenzoyl)amino]cyclohexyl]acetic acid
CID 64671366
2-[1-(1,2-oxazole-3-carbonylamino)cyclohexyl]acetic acid
CID 64672317
2-[1-[(4-ethylbenzoyl)amino]cyclopentyl]acetic acid
CID 64673374
2-[1-[(5-bromofuran-3-carbonyl)amino]cyclohexyl]acetic acid
CID 75513389
N-[1-(2-oxoethylcarbamoyl)cyclohexyl]-1H-pyrrole-2-carboxamide;propane
CID 143504752
2-[1-[(4-chlorobenzoyl)amino]cyclobutyl]acetic acid
CID 79845388

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1H-pyrrole-2-carbonylamino)cyclohexyl]acetic acid?
The IUPAC name of 2-[1-(1H-pyrrole-2-carbonylamino)cyclohexyl]acetic acid (CID 64670962) is 2-[1-(1H-pyrrole-2-carbonylamino)cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-(1H-pyrrole-2-carbonylamino)cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-(1H-pyrrole-2-carbonylamino)cyclohexyl]acetic acid is O=C(O)CC1(NC(=O)c2ccc[nH]2)CCCCC1.
What is the InChIKey of 2-[1-(1H-pyrrole-2-carbonylamino)cyclohexyl]acetic acid?
The InChIKey is LCZDGODRDNLPBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c16-11(17)9-13(6-2-1-3-7-13)15-12(18)10-5-4-8-14-10/h4-5,8,14H,1-3,6-7,9H2,(H,15,18)(H,16,17).
What are the key properties of 2-[1-(1H-pyrrole-2-carbonylamino)cyclohexyl]acetic acid?
2-[1-(1H-pyrrole-2-carbonylamino)cyclohexyl]acetic acid has a molecular weight of 250.30 g/mol, XLogP of 1.92, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1H-pyrrole-2-carbonylamino)cyclohexyl]acetic acid is sourced from PubChem (CID 64670962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).