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

C10H12ClN3O4 — CID 43465535

IUPAC2-[[2-[(4-chloro-1-methylpyrrole-2-carbonyl)amino]acetyl]amino]acetic acid
SMILESCn1cc(Cl)cc1C(=O)NCC(=O)NCC(=O)O
InChIInChI=1S/C10H12ClN3O4/c1-14-5-6(11)2-7(14)10(18)13-3-8(15)12-4-9(16)17/h2,5H,3-4H2,1H3,(H,12,15)(H,13,18)(H,16,17)
InChIKeyUYRLAYDTJKGTAN-UHFFFAOYSA-N
MW273.68 g/mol
LogP-0.39
Rot. Bonds5

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

2-[[2-[(4-chloro-1-methylpyrrole-2-carbonyl)amino]acetyl]amino]acetic acid (PubChem CID 43465535) has the molecular formula C10H12ClN3O4 and a molecular weight of 273.68 g/mol. Its IUPAC name is 2-[[2-[(4-chloro-1-methylpyrrole-2-carbonyl)amino]acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-[(4-chloro-1-methylpyrrole-2-carbonyl)amino]acetyl]amino]acetic acid
PubChem CID43465535
Molecular FormulaC10H12ClN3O4
Molecular Weight273.68 g/mol
Exact Mass273.05
IUPAC Name2-[[2-[(4-chloro-1-methylpyrrole-2-carbonyl)amino]acetyl]amino]acetic acid
SMILESCn1cc(Cl)cc1C(=O)NCC(=O)NCC(=O)O
InChIInChI=1S/C10H12ClN3O4/c1-14-5-6(11)2-7(14)10(18)13-3-8(15)12-4-9(16)17/h2,5H,3-4H2,1H3,(H,12,15)(H,13,18)(H,16,17)
InChIKeyUYRLAYDTJKGTAN-UHFFFAOYSA-N
XLogP-0.39
TPSA100.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.68
LogP ≤ 5-0.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[[2-[(4-chloro-1-methylpyrrole-2-carbonyl)amino]acetyl]amino]acetic acid with MolForge

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Related Compounds

4-chloro-N-(4-hydroxybutyl)-1-methylpyrrole-2-carboxamide
CID 106843318
4-chloro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-1-methylpyrrole-2-carboxamide
CID 113294464
2-[1-[[(4-chloro-1-methylpyrrole-2-carbonyl)amino]methyl]cyclobutyl]acetic acid
CID 81163722
2-[[2-[(2,4,6-trimethylbenzoyl)amino]acetyl]amino]acetic acid
CID 43387599
N-(2-amino-2-ethylbutyl)-4-chloro-1-methylpyrrole-2-carboxamide
CID 81484909
4-[(4-chloro-1-methylpyrrole-2-carbonyl)amino]-3-ethoxybutanoic acid
CID 114226939
N-(2-amino-2-phenylethyl)-4-chloro-1-methylpyrrole-2-carboxamide
CID 55177350
1-[[(4-chloro-1-methylpyrrole-2-carbonyl)amino]methyl]cycloheptane-1-carboxylic acid
CID 115443348
4-chloro-1-methyl-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)pyrrole-2-carboxamide
CID 154834480
4-chloro-1-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyrrole-2-carboxamide
CID 64545994
4-chloro-N-[(5-chlorothiophen-2-yl)methyl]-1-methylpyrrole-2-carboxamide
CID 32831369
4-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-1-methylpyrrole-2-carboxamide
CID 43500997

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(4-chloro-1-methylpyrrole-2-carbonyl)amino]acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-[(4-chloro-1-methylpyrrole-2-carbonyl)amino]acetyl]amino]acetic acid (CID 43465535) is 2-[[2-[(4-chloro-1-methylpyrrole-2-carbonyl)amino]acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-[(4-chloro-1-methylpyrrole-2-carbonyl)amino]acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-[(4-chloro-1-methylpyrrole-2-carbonyl)amino]acetyl]amino]acetic acid is Cn1cc(Cl)cc1C(=O)NCC(=O)NCC(=O)O.
What is the InChIKey of 2-[[2-[(4-chloro-1-methylpyrrole-2-carbonyl)amino]acetyl]amino]acetic acid?
The InChIKey is UYRLAYDTJKGTAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3O4/c1-14-5-6(11)2-7(14)10(18)13-3-8(15)12-4-9(16)17/h2,5H,3-4H2,1H3,(H,12,15)(H,13,18)(H,16,17).
What are the key properties of 2-[[2-[(4-chloro-1-methylpyrrole-2-carbonyl)amino]acetyl]amino]acetic acid?
2-[[2-[(4-chloro-1-methylpyrrole-2-carbonyl)amino]acetyl]amino]acetic acid has a molecular weight of 273.68 g/mol, XLogP of -0.39, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(4-chloro-1-methylpyrrole-2-carbonyl)amino]acetyl]amino]acetic acid is sourced from PubChem (CID 43465535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).