2-[(4-acetyl-1-methylpyrrole-2-carbonyl)-(cyclopropylmethyl)amino]acetic acid

C14H18N2O4 — CID 43655375

IUPAC2-[(4-acetyl-1-methylpyrrole-2-carbonyl)-(cyclopropylmethyl)amino]acetic acid
SMILESCC(=O)c1cc(C(=O)N(CC(=O)O)CC2CC2)n(C)c1
InChIInChI=1S/C14H18N2O4/c1-9(17)11-5-12(15(2)7-11)14(20)16(8-13(18)19)6-10-3-4-10/h5,7,10H,3-4,6,8H2,1-2H3,(H,18,19)
InChIKeyVEXXBGZPYBHTPW-UHFFFAOYSA-N
MW278.31 g/mol
LogP1.16
Rot. Bonds6

About 2-[(4-acetyl-1-methylpyrrole-2-carbonyl)-(cyclopropylmethyl)amino]acetic acid

2-[(4-acetyl-1-methylpyrrole-2-carbonyl)-(cyclopropylmethyl)amino]acetic acid (PubChem CID 43655375) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 2-[(4-acetyl-1-methylpyrrole-2-carbonyl)-(cyclopropylmethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(4-acetyl-1-methylpyrrole-2-carbonyl)-(cyclopropylmethyl)amino]acetic acid
PubChem CID43655375
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name2-[(4-acetyl-1-methylpyrrole-2-carbonyl)-(cyclopropylmethyl)amino]acetic acid
SMILESCC(=O)c1cc(C(=O)N(CC(=O)O)CC2CC2)n(C)c1
InChIInChI=1S/C14H18N2O4/c1-9(17)11-5-12(15(2)7-11)14(20)16(8-13(18)19)6-10-3-4-10/h5,7,10H,3-4,6,8H2,1-2H3,(H,18,19)
InChIKeyVEXXBGZPYBHTPW-UHFFFAOYSA-N
XLogP1.16
TPSA79.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-acetyl-N-cycloheptyl-1H-pyrrole-2-carboxamide
CID 1482695
(2,4-dibenzoyl-1H-pyrrol-1-yl)acetic acid
CID 9497452
1-Methyl-4-[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]pyrrole-2-carboxamide
CID 39074299
1-[1-methyl-5-(4-methyl-3,5-dihydro-2H-1,4-benzodiazepine-1-carbonyl)pyrrol-3-yl]ethanone
CID 71933443
4-acetyl-1-[(E)-3-phenylprop-2-enyl]pyrrole-2-carboxamide
CID 137656178
4-acetyl-N-(1-acetylpiperidin-4-yl)-1H-pyrrole-2-carboxamide
CID 45797716
4-[2-(2,6-dimethylmorpholin-4-yl)acetyl]-N,1-dimethylpyrrole-2-carboxamide
CID 53499326
8-[(4-acetyl-1-methyl-1H-pyrrol-2-yl)methyl]-3-(3-methylbutyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70729567
9-[(4-acetyl-1-methyl-1H-pyrrol-2-yl)methyl]-2-cyclopropyl-2,9-diazaspiro[5.5]undecan-3-one
CID 70783169
4-{[[(4-acetyl-1-methyl-1H-pyrrol-2-yl)methyl](methyl)amino]methyl}-1-methylpyrrolidin-2-one
CID 77089922
2-[(2,5-Dimethyl-1-propan-2-ylpyrrole-3-carbonyl)-propylamino]acetic acid
CID 86779618
methyl 3-[(4-acetyl-1H-pyrrole-2-carbonyl)amino]azetidine-1-carboxylate
CID 86780302

Frequently Asked Questions

What is the IUPAC name of 2-[(4-acetyl-1-methylpyrrole-2-carbonyl)-(cyclopropylmethyl)amino]acetic acid?
The IUPAC name of 2-[(4-acetyl-1-methylpyrrole-2-carbonyl)-(cyclopropylmethyl)amino]acetic acid (CID 43655375) is 2-[(4-acetyl-1-methylpyrrole-2-carbonyl)-(cyclopropylmethyl)amino]acetic acid.
What is the SMILES notation for 2-[(4-acetyl-1-methylpyrrole-2-carbonyl)-(cyclopropylmethyl)amino]acetic acid?
The canonical SMILES for 2-[(4-acetyl-1-methylpyrrole-2-carbonyl)-(cyclopropylmethyl)amino]acetic acid is CC(=O)c1cc(C(=O)N(CC(=O)O)CC2CC2)n(C)c1.
What is the InChIKey of 2-[(4-acetyl-1-methylpyrrole-2-carbonyl)-(cyclopropylmethyl)amino]acetic acid?
The InChIKey is VEXXBGZPYBHTPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-9(17)11-5-12(15(2)7-11)14(20)16(8-13(18)19)6-10-3-4-10/h5,7,10H,3-4,6,8H2,1-2H3,(H,18,19).
What are the key properties of 2-[(4-acetyl-1-methylpyrrole-2-carbonyl)-(cyclopropylmethyl)amino]acetic acid?
2-[(4-acetyl-1-methylpyrrole-2-carbonyl)-(cyclopropylmethyl)amino]acetic acid has a molecular weight of 278.31 g/mol, XLogP of 1.16, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-acetyl-1-methylpyrrole-2-carbonyl)-(cyclopropylmethyl)amino]acetic acid is sourced from PubChem (CID 43655375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).