2-(3-chloro-N-[2-(cyclopropylamino)acetyl]anilino)acetic acid

C13H15ClN2O3 — CID 61159944

IUPAC2-(3-chloro-N-[2-(cyclopropylamino)acetyl]anilino)acetic acid
SMILESO=C(O)CN(C(=O)CNC1CC1)c1cccc(Cl)c1
InChIInChI=1S/C13H15ClN2O3/c14-9-2-1-3-11(6-9)16(8-13(18)19)12(17)7-15-10-4-5-10/h1-3,6,10,15H,4-5,7-8H2,(H,18,19)
InChIKeyAQBOGPGUAPQMIE-UHFFFAOYSA-N
MW282.73 g/mol
LogP1.51
Rot. Bonds6

About 2-(3-chloro-N-[2-(cyclopropylamino)acetyl]anilino)acetic acid

2-(3-chloro-N-[2-(cyclopropylamino)acetyl]anilino)acetic acid (PubChem CID 61159944) has the molecular formula C13H15ClN2O3 and a molecular weight of 282.73 g/mol. Its IUPAC name is 2-(3-chloro-N-[2-(cyclopropylamino)acetyl]anilino)acetic acid.

Molecular Properties

Compound Name2-(3-chloro-N-[2-(cyclopropylamino)acetyl]anilino)acetic acid
PubChem CID61159944
Molecular FormulaC13H15ClN2O3
Molecular Weight282.73 g/mol
Exact Mass282.08
IUPAC Name2-(3-chloro-N-[2-(cyclopropylamino)acetyl]anilino)acetic acid
SMILESO=C(O)CN(C(=O)CNC1CC1)c1cccc(Cl)c1
InChIInChI=1S/C13H15ClN2O3/c14-9-2-1-3-11(6-9)16(8-13(18)19)12(17)7-15-10-4-5-10/h1-3,6,10,15H,4-5,7-8H2,(H,18,19)
InChIKeyAQBOGPGUAPQMIE-UHFFFAOYSA-N
XLogP1.51
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.73
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chloro-N-(2-phenylacetyl)anilino)acetic acid
CID 28765730
2-[3-chloro-N-(oxan-4-ylcarbamoyl)anilino]acetic acid
CID 61202601
2-(3-chloro-N-[2-(cyclohexen-1-yl)acetyl]anilino)acetic acid
CID 63565168
2-(3-chloro-N-(2,2,3,3-tetramethylcyclopropanecarbonyl)anilino)acetic acid
CID 66476459
2-(3-chloro-N-(2-thiophen-2-ylacetyl)anilino)acetic acid
CID 60825769
2-[3-chloro-N-[4-(methylamino)butanoyl]anilino]acetic acid
CID 61159946
2-(3-chloro-N-(2-methylpiperidine-1-carbonyl)anilino)acetic acid
CID 61188614
2-(3-chloro-N-(2,2,2-trifluoroacetyl)anilino)acetic acid
CID 54897844
2-[N-(2-aminoethylcarbamoyl)-3-chloroanilino]acetic acid
CID 61403139
2-[3-chloro-N-(3,4,4-trimethylpentanoyl)anilino]acetic acid
CID 63832859
2-(3-chloro-N-cyclopentylanilino)acetic acid
CID 60833680
N-[(3-chlorophenyl)methyl]-2-(cyclopropylamino)-N-ethylacetamide
CID 54871025

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-N-[2-(cyclopropylamino)acetyl]anilino)acetic acid?
The IUPAC name of 2-(3-chloro-N-[2-(cyclopropylamino)acetyl]anilino)acetic acid (CID 61159944) is 2-(3-chloro-N-[2-(cyclopropylamino)acetyl]anilino)acetic acid.
What is the SMILES notation for 2-(3-chloro-N-[2-(cyclopropylamino)acetyl]anilino)acetic acid?
The canonical SMILES for 2-(3-chloro-N-[2-(cyclopropylamino)acetyl]anilino)acetic acid is O=C(O)CN(C(=O)CNC1CC1)c1cccc(Cl)c1.
What is the InChIKey of 2-(3-chloro-N-[2-(cyclopropylamino)acetyl]anilino)acetic acid?
The InChIKey is AQBOGPGUAPQMIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O3/c14-9-2-1-3-11(6-9)16(8-13(18)19)12(17)7-15-10-4-5-10/h1-3,6,10,15H,4-5,7-8H2,(H,18,19).
What are the key properties of 2-(3-chloro-N-[2-(cyclopropylamino)acetyl]anilino)acetic acid?
2-(3-chloro-N-[2-(cyclopropylamino)acetyl]anilino)acetic acid has a molecular weight of 282.73 g/mol, XLogP of 1.51, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-N-[2-(cyclopropylamino)acetyl]anilino)acetic acid is sourced from PubChem (CID 61159944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).