2-acetamido-2-(1H-pyrrol-3-yl)acetic acid

C8H10N2O3 — CID 14212860

IUPAC2-acetamido-2-(1H-pyrrol-3-yl)acetic acid
SMILESCC(=O)NC(C(=O)O)c1cc[nH]c1
InChIInChI=1S/C8H10N2O3/c1-5(11)10-7(8(12)13)6-2-3-9-4-6/h2-4,7,9H,1H3,(H,10,11)(H,12,13)
InChIKeyFWBCXCCGBXIKQP-UHFFFAOYSA-N
MW182.18 g/mol
LogP0.28
Rot. Bonds3

About 2-acetamido-2-(1H-pyrrol-3-yl)acetic acid

2-acetamido-2-(1H-pyrrol-3-yl)acetic acid (PubChem CID 14212860) has the molecular formula C8H10N2O3 and a molecular weight of 182.18 g/mol. Its IUPAC name is 2-acetamido-2-(1H-pyrrol-3-yl)acetic acid.

Molecular Properties

Compound Name2-acetamido-2-(1H-pyrrol-3-yl)acetic acid
PubChem CID14212860
Molecular FormulaC8H10N2O3
Molecular Weight182.18 g/mol
Exact Mass182.07
IUPAC Name2-acetamido-2-(1H-pyrrol-3-yl)acetic acid
SMILESCC(=O)NC(C(=O)O)c1cc[nH]c1
InChIInChI=1S/C8H10N2O3/c1-5(11)10-7(8(12)13)6-2-3-9-4-6/h2-4,7,9H,1H3,(H,10,11)(H,12,13)
InChIKeyFWBCXCCGBXIKQP-UHFFFAOYSA-N
XLogP0.28
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 50.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-acetamido-2-(4-aminophenyl)acetic acid
CID 14037276
2-acetamido-2-(3,5-dimethylphenyl)acetic acid
CID 63702397
(2S)-2-acetamido-2-(4-nitrophenyl)acetic acid
CID 14037273
2,3-diamino-3-(1H-pyrrol-3-yl)propanoic acid
CID 116942235
N'-methyl-2-(1H-pyrrol-3-yl)propanehydrazide
CID 116847036
4-(dimethylamino)-2-methyl-4-(1H-pyrrol-3-yl)butanoic acid
CID 116908269
2-acetamido-2-[4-(trifluoromethoxy)phenyl]acetic acid
CID 63703455
2-[methylamino(1H-pyrrol-3-yl)methyl]butanoic acid
CID 116959709
(2S)-2-acetamido-2-[3-hydroxy-4-(hydroxymethyl)phenyl]acetic acid
CID 96586653
(2S)-2-(2-methylprop-2-enoylamino)-2-phenylacetic acid
CID 22846521
(2S)-2-(1H-pyrrole-3-carbonylamino)propanoic acid
CID 83617800
2-acetamido-2-(1-benzofuran-5-yl)acetic acid
CID 20531252

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-2-(1H-pyrrol-3-yl)acetic acid?
The IUPAC name of 2-acetamido-2-(1H-pyrrol-3-yl)acetic acid (CID 14212860) is 2-acetamido-2-(1H-pyrrol-3-yl)acetic acid.
What is the SMILES notation for 2-acetamido-2-(1H-pyrrol-3-yl)acetic acid?
The canonical SMILES for 2-acetamido-2-(1H-pyrrol-3-yl)acetic acid is CC(=O)NC(C(=O)O)c1cc[nH]c1.
What is the InChIKey of 2-acetamido-2-(1H-pyrrol-3-yl)acetic acid?
The InChIKey is FWBCXCCGBXIKQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3/c1-5(11)10-7(8(12)13)6-2-3-9-4-6/h2-4,7,9H,1H3,(H,10,11)(H,12,13).
What are the key properties of 2-acetamido-2-(1H-pyrrol-3-yl)acetic acid?
2-acetamido-2-(1H-pyrrol-3-yl)acetic acid has a molecular weight of 182.18 g/mol, XLogP of 0.28, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-2-(1H-pyrrol-3-yl)acetic acid is sourced from PubChem (CID 14212860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).