2-(2-chloro-5-methoxyanilino)pentanoic acid

C12H16ClNO3 — CID 83040688

IUPAC2-(2-chloro-5-methoxyanilino)pentanoic acid
SMILESCCCC(Nc1cc(OC)ccc1Cl)C(=O)O
InChIInChI=1S/C12H16ClNO3/c1-3-4-10(12(15)16)14-11-7-8(17-2)5-6-9(11)13/h5-7,10,14H,3-4H2,1-2H3,(H,15,16)
InChIKeyAURROODPVBXXMC-UHFFFAOYSA-N
MW257.72 g/mol
LogP3.01
Rot. Bonds6

About 2-(2-chloro-5-methoxyanilino)pentanoic acid

2-(2-chloro-5-methoxyanilino)pentanoic acid (PubChem CID 83040688) has the molecular formula C12H16ClNO3 and a molecular weight of 257.72 g/mol. Its IUPAC name is 2-(2-chloro-5-methoxyanilino)pentanoic acid.

Molecular Properties

Compound Name2-(2-chloro-5-methoxyanilino)pentanoic acid
PubChem CID83040688
Molecular FormulaC12H16ClNO3
Molecular Weight257.72 g/mol
Exact Mass257.08
IUPAC Name2-(2-chloro-5-methoxyanilino)pentanoic acid
SMILESCCCC(Nc1cc(OC)ccc1Cl)C(=O)O
InChIInChI=1S/C12H16ClNO3/c1-3-4-10(12(15)16)14-11-7-8(17-2)5-6-9(11)13/h5-7,10,14H,3-4H2,1-2H3,(H,15,16)
InChIKeyAURROODPVBXXMC-UHFFFAOYSA-N
XLogP3.01
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chloro-5-cyanoanilino)pentanoic acid
CID 83041858
(2R)-2-(4-methoxyanilino)pentanoic acid
CID 11085419
(2S)-2-amino-N-(2-chloro-5-methoxyphenyl)pentanamide
CID 107569473
2-(2-chloro-5-methylanilino)hexanoic acid
CID 107636534
(2S)-2-(2-methoxyanilino)pentanoic acid
CID 40788460
ethyl 2-(4-methoxy-2-methylanilino)pentanoate
CID 78964712
2-chloro-N-(1,1-difluoropropan-2-yl)-5-methoxyaniline
CID 102869387
(2S)-3-[(2-chloro-5-methoxyphenyl)carbamoylamino]-2-hydroxypropanoic acid
CID 114007392
(2R)-2-[(2-amino-4-methoxybenzoyl)amino]pentanoic acid
CID 103869949
3-[(2-chloro-5-methoxyphenyl)carbamoylamino]-2-hydroxypropanoic acid
CID 66164907
(2R)-2-[[2-(3,4-dichlorophenyl)acetyl]amino]pentanoic acid
CID 107562883
(2S)-2-[(2,5-dichlorophenyl)carbamoylamino]pentanoic acid
CID 107564807

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-5-methoxyanilino)pentanoic acid?
The IUPAC name of 2-(2-chloro-5-methoxyanilino)pentanoic acid (CID 83040688) is 2-(2-chloro-5-methoxyanilino)pentanoic acid.
What is the SMILES notation for 2-(2-chloro-5-methoxyanilino)pentanoic acid?
The canonical SMILES for 2-(2-chloro-5-methoxyanilino)pentanoic acid is CCCC(Nc1cc(OC)ccc1Cl)C(=O)O.
What is the InChIKey of 2-(2-chloro-5-methoxyanilino)pentanoic acid?
The InChIKey is AURROODPVBXXMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO3/c1-3-4-10(12(15)16)14-11-7-8(17-2)5-6-9(11)13/h5-7,10,14H,3-4H2,1-2H3,(H,15,16).
What are the key properties of 2-(2-chloro-5-methoxyanilino)pentanoic acid?
2-(2-chloro-5-methoxyanilino)pentanoic acid has a molecular weight of 257.72 g/mol, XLogP of 3.01, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-5-methoxyanilino)pentanoic acid is sourced from PubChem (CID 83040688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).