2-[cyclopropylmethyl-(2,3-dichlorobenzoyl)amino]acetic acid

C13H13Cl2NO3 — CID 43655107

IUPAC2-[cyclopropylmethyl-(2,3-dichlorobenzoyl)amino]acetic acid
SMILESO=C(O)CN(CC1CC1)C(=O)c1cccc(Cl)c1Cl
InChIInChI=1S/C13H13Cl2NO3/c14-10-3-1-2-9(12(10)15)13(19)16(7-11(17)18)6-8-4-5-8/h1-3,8H,4-7H2,(H,17,18)
InChIKeyODCCANLCBYFGFH-UHFFFAOYSA-N
MW302.16 g/mol
LogP2.93
Rot. Bonds5

About 2-[cyclopropylmethyl-(2,3-dichlorobenzoyl)amino]acetic acid

2-[cyclopropylmethyl-(2,3-dichlorobenzoyl)amino]acetic acid (PubChem CID 43655107) has the molecular formula C13H13Cl2NO3 and a molecular weight of 302.16 g/mol. Its IUPAC name is 2-[cyclopropylmethyl-(2,3-dichlorobenzoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropylmethyl-(2,3-dichlorobenzoyl)amino]acetic acid
PubChem CID43655107
Molecular FormulaC13H13Cl2NO3
Molecular Weight302.16 g/mol
Exact Mass301.03
IUPAC Name2-[cyclopropylmethyl-(2,3-dichlorobenzoyl)amino]acetic acid
SMILESO=C(O)CN(CC1CC1)C(=O)c1cccc(Cl)c1Cl
InChIInChI=1S/C13H13Cl2NO3/c14-10-3-1-2-9(12(10)15)13(19)16(7-11(17)18)6-8-4-5-8/h1-3,8H,4-7H2,(H,17,18)
InChIKeyODCCANLCBYFGFH-UHFFFAOYSA-N
XLogP2.93
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.16
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2,3-dichlorobenzoyl)-ethylamino]acetic acid
CID 54901309
2-[(2-chloro-4-methylbenzoyl)-(cyclopropylmethyl)amino]acetic acid
CID 106860492
2-[cyclopropylmethyl-(2-methoxybenzoyl)amino]acetic acid
CID 43655299
2-[(4-chloro-2,5-difluorobenzoyl)-(cyclopropylmethyl)amino]acetic acid
CID 82782290
2-[(2-chlorophenyl)methylcarbamoyl-(cyclopropylmethyl)amino]acetic acid
CID 43655962
2-[cyclopropylmethyl-[2-(difluoromethylsulfanyl)benzoyl]amino]acetic acid
CID 43655584
2-[(2-amino-3-chlorobenzoyl)-(carboxymethyl)amino]acetic acid
CID 82546684
2-[2-(2-chlorophenoxy)propanoyl-(cyclopropylmethyl)amino]acetic acid
CID 43655313
2-[(3-chloro-2-fluorobenzoyl)-ethylamino]acetic acid
CID 81267588
2-[cyclopropylmethyl-(2,4-difluorobenzoyl)amino]acetic acid
CID 43655083
3-chloro-N-(cyclopropylmethyl)-2-fluoro-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106608668
2-[(5-bromo-2-hydroxybenzoyl)-(cyclopropylmethyl)amino]acetic acid
CID 107729298

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl-(2,3-dichlorobenzoyl)amino]acetic acid?
The IUPAC name of 2-[cyclopropylmethyl-(2,3-dichlorobenzoyl)amino]acetic acid (CID 43655107) is 2-[cyclopropylmethyl-(2,3-dichlorobenzoyl)amino]acetic acid.
What is the SMILES notation for 2-[cyclopropylmethyl-(2,3-dichlorobenzoyl)amino]acetic acid?
The canonical SMILES for 2-[cyclopropylmethyl-(2,3-dichlorobenzoyl)amino]acetic acid is O=C(O)CN(CC1CC1)C(=O)c1cccc(Cl)c1Cl.
What is the InChIKey of 2-[cyclopropylmethyl-(2,3-dichlorobenzoyl)amino]acetic acid?
The InChIKey is ODCCANLCBYFGFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2NO3/c14-10-3-1-2-9(12(10)15)13(19)16(7-11(17)18)6-8-4-5-8/h1-3,8H,4-7H2,(H,17,18).
What are the key properties of 2-[cyclopropylmethyl-(2,3-dichlorobenzoyl)amino]acetic acid?
2-[cyclopropylmethyl-(2,3-dichlorobenzoyl)amino]acetic acid has a molecular weight of 302.16 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl-(2,3-dichlorobenzoyl)amino]acetic acid is sourced from PubChem (CID 43655107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).