(2R)-2-(3-chloroanilino)pentanoic acid

C11H14ClNO2 — CID 40801075

IUPAC(2R)-2-(3-chloroanilino)pentanoic acid
SMILESCCC[C@@H](Nc1cccc(Cl)c1)C(=O)O
InChIInChI=1S/C11H14ClNO2/c1-2-4-10(11(14)15)13-9-6-3-5-8(12)7-9/h3,5-7,10,13H,2,4H2,1H3,(H,14,15)/t10-/m1/s1
InChIKeyRPYZCSIYQSYEIO-SNVBAGLBSA-N
MW227.69 g/mol
LogP3.01
Rot. Bonds5

About (2R)-2-(3-chloroanilino)pentanoic acid

(2R)-2-(3-chloroanilino)pentanoic acid (PubChem CID 40801075) has the molecular formula C11H14ClNO2 and a molecular weight of 227.69 g/mol. Its IUPAC name is (2R)-2-(3-chloroanilino)pentanoic acid.

Molecular Properties

Compound Name(2R)-2-(3-chloroanilino)pentanoic acid
PubChem CID40801075
Molecular FormulaC11H14ClNO2
Molecular Weight227.69 g/mol
Exact Mass227.07
IUPAC Name(2R)-2-(3-chloroanilino)pentanoic acid
SMILESCCC[C@@H](Nc1cccc(Cl)c1)C(=O)O
InChIInChI=1S/C11H14ClNO2/c1-2-4-10(11(14)15)13-9-6-3-5-8(12)7-9/h3,5-7,10,13H,2,4H2,1H3,(H,14,15)/t10-/m1/s1
InChIKeyRPYZCSIYQSYEIO-SNVBAGLBSA-N
XLogP3.01
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(3-methylanilino)pentanoic acid
CID 40788448
2-[(3-chlorophenyl)carbamoylamino]pentanoic acid
CID 43631122
(2S)-2-anilinopentanoic acid
CID 22847649
2-[3-(dimethylamino)anilino]pentanoic acid
CID 83041129
1-(3-chloroanilino)butan-1-ol
CID 143119742
(2S)-2-(naphthalen-2-ylamino)pentanoic acid
CID 174375050
2-[(3-chlorophenyl)sulfonylamino]pentanoic acid
CID 43631155
2-[2-(3-chloroanilino)-2-oxoethyl]pentanoic acid
CID 112517515
2-(3-methylanilino)heptanoic acid
CID 54890661
2-(3-bromo-4-fluoroanilino)pentanoic acid
CID 104777722
2-acetamido-3-(3-chloroanilino)propanoic acid
CID 64581658
2-(3-chloroanilino)-4-ethylsulfanylbutanamide
CID 116504285

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-chloroanilino)pentanoic acid?
The IUPAC name of (2R)-2-(3-chloroanilino)pentanoic acid (CID 40801075) is (2R)-2-(3-chloroanilino)pentanoic acid.
What is the SMILES notation for (2R)-2-(3-chloroanilino)pentanoic acid?
The canonical SMILES for (2R)-2-(3-chloroanilino)pentanoic acid is CCC[C@@H](Nc1cccc(Cl)c1)C(=O)O.
What is the InChIKey of (2R)-2-(3-chloroanilino)pentanoic acid?
The InChIKey is RPYZCSIYQSYEIO-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H14ClNO2/c1-2-4-10(11(14)15)13-9-6-3-5-8(12)7-9/h3,5-7,10,13H,2,4H2,1H3,(H,14,15)/t10-/m1/s1.
What are the key properties of (2R)-2-(3-chloroanilino)pentanoic acid?
(2R)-2-(3-chloroanilino)pentanoic acid has a molecular weight of 227.69 g/mol, XLogP of 3.01, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-chloroanilino)pentanoic acid is sourced from PubChem (CID 40801075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).