2-[(6-chloro-2H-chromene-3-carbonyl)-cyclopropylamino]acetic acid

C15H14ClNO4 — CID 60827378

IUPAC2-[(6-chloro-2H-chromene-3-carbonyl)-cyclopropylamino]acetic acid
SMILESO=C(O)CN(C(=O)C1=Cc2cc(Cl)ccc2OC1)C1CC1
InChIInChI=1S/C15H14ClNO4/c16-11-1-4-13-9(6-11)5-10(8-21-13)15(20)17(7-14(18)19)12-2-3-12/h1,4-6,12H,2-3,7-8H2,(H,18,19)
InChIKeyRZTCYDZKBMXEJD-UHFFFAOYSA-N
MW307.73 g/mol
LogP2.19
Rot. Bonds4

About 2-[(6-chloro-2H-chromene-3-carbonyl)-cyclopropylamino]acetic acid

2-[(6-chloro-2H-chromene-3-carbonyl)-cyclopropylamino]acetic acid (PubChem CID 60827378) has the molecular formula C15H14ClNO4 and a molecular weight of 307.73 g/mol. Its IUPAC name is 2-[(6-chloro-2H-chromene-3-carbonyl)-cyclopropylamino]acetic acid.

Molecular Properties

Compound Name2-[(6-chloro-2H-chromene-3-carbonyl)-cyclopropylamino]acetic acid
PubChem CID60827378
Molecular FormulaC15H14ClNO4
Molecular Weight307.73 g/mol
Exact Mass307.06
IUPAC Name2-[(6-chloro-2H-chromene-3-carbonyl)-cyclopropylamino]acetic acid
SMILESO=C(O)CN(C(=O)C1=Cc2cc(Cl)ccc2OC1)C1CC1
InChIInChI=1S/C15H14ClNO4/c16-11-1-4-13-9(6-11)5-10(8-21-13)15(20)17(7-14(18)19)12-2-3-12/h1,4-6,12H,2-3,7-8H2,(H,18,19)
InChIKeyRZTCYDZKBMXEJD-UHFFFAOYSA-N
XLogP2.19
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.73
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(6-chloro-2H-chromene-3-carbonyl)-cyclopropylamino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(6-chloro-2H-chromene-3-carbonyl)-[2-(dimethylamino)ethyl]amino]acetic acid
CID 119346798
6-chloro-2H-chromene-3-carbonyl chloride
CID 2735716
6-chloro-N,N-bis(2-hydroxyethyl)-2H-chromene-3-carboxamide
CID 61234889
methyl 2-[(6-chloro-2H-chromene-3-carbonyl)-methylamino]acetate
CID 43408851
1-[2-[(6-chloro-2H-chromene-3-carbonyl)-methylamino]acetyl]piperidine-4-carboxylic acid
CID 119235976
2-[(2,5-dichlorobenzoyl)-(oxan-4-yl)amino]acetic acid
CID 119211299
methyl 2-[(6-chloro-2H-chromene-3-carbonyl)-propan-2-ylamino]acetate
CID 78884644
2-[(4-chloro-2-fluorobenzoyl)-(oxan-4-yl)amino]acetic acid
CID 119211140
2-[(4-chloro-2-nitrobenzoyl)-cyclopropylamino]acetic acid
CID 60826097
3-[(6-chloro-2H-chromene-3-carbonyl)amino]butanoic acid
CID 43242074
2-[(4-chlorobenzoyl)-(oxan-4-yl)amino]acetic acid
CID 154742650
6-chloro-N-[2-(methylamino)ethyl]-2H-chromene-3-carboxamide
CID 119504069

Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloro-2H-chromene-3-carbonyl)-cyclopropylamino]acetic acid?
The IUPAC name of 2-[(6-chloro-2H-chromene-3-carbonyl)-cyclopropylamino]acetic acid (CID 60827378) is 2-[(6-chloro-2H-chromene-3-carbonyl)-cyclopropylamino]acetic acid.
What is the SMILES notation for 2-[(6-chloro-2H-chromene-3-carbonyl)-cyclopropylamino]acetic acid?
The canonical SMILES for 2-[(6-chloro-2H-chromene-3-carbonyl)-cyclopropylamino]acetic acid is O=C(O)CN(C(=O)C1=Cc2cc(Cl)ccc2OC1)C1CC1.
What is the InChIKey of 2-[(6-chloro-2H-chromene-3-carbonyl)-cyclopropylamino]acetic acid?
The InChIKey is RZTCYDZKBMXEJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO4/c16-11-1-4-13-9(6-11)5-10(8-21-13)15(20)17(7-14(18)19)12-2-3-12/h1,4-6,12H,2-3,7-8H2,(H,18,19).
What are the key properties of 2-[(6-chloro-2H-chromene-3-carbonyl)-cyclopropylamino]acetic acid?
2-[(6-chloro-2H-chromene-3-carbonyl)-cyclopropylamino]acetic acid has a molecular weight of 307.73 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloro-2H-chromene-3-carbonyl)-cyclopropylamino]acetic acid is sourced from PubChem (CID 60827378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).