(2R)-2-[(2-chloro-6-methoxyphenyl)methylcarbamoylamino]pentanoic acid

C14H19ClN2O4 — CID 107567819

IUPAC(2R)-2-[(2-chloro-6-methoxyphenyl)methylcarbamoylamino]pentanoic acid
SMILESCCC[C@@H](NC(=O)NCc1c(Cl)cccc1OC)C(=O)O
InChIInChI=1S/C14H19ClN2O4/c1-3-5-11(13(18)19)17-14(20)16-8-9-10(15)6-4-7-12(9)21-2/h4,6-7,11H,3,5,8H2,1-2H3,(H,18,19)(H2,16,17,20)/t11-/m1/s1
InChIKeyZXUFQJUTMJEHNG-LLVKDONJSA-N
MW314.77 g/mol
LogP2.40
Rot. Bonds7

About (2R)-2-[(2-chloro-6-methoxyphenyl)methylcarbamoylamino]pentanoic acid

(2R)-2-[(2-chloro-6-methoxyphenyl)methylcarbamoylamino]pentanoic acid (PubChem CID 107567819) has the molecular formula C14H19ClN2O4 and a molecular weight of 314.77 g/mol. Its IUPAC name is (2R)-2-[(2-chloro-6-methoxyphenyl)methylcarbamoylamino]pentanoic acid.

Molecular Properties

Compound Name(2R)-2-[(2-chloro-6-methoxyphenyl)methylcarbamoylamino]pentanoic acid
PubChem CID107567819
Molecular FormulaC14H19ClN2O4
Molecular Weight314.77 g/mol
Exact Mass314.10
IUPAC Name(2R)-2-[(2-chloro-6-methoxyphenyl)methylcarbamoylamino]pentanoic acid
SMILESCCC[C@@H](NC(=O)NCc1c(Cl)cccc1OC)C(=O)O
InChIInChI=1S/C14H19ClN2O4/c1-3-5-11(13(18)19)17-14(20)16-8-9-10(15)6-4-7-12(9)21-2/h4,6-7,11H,3,5,8H2,1-2H3,(H,18,19)(H2,16,17,20)/t11-/m1/s1
InChIKeyZXUFQJUTMJEHNG-LLVKDONJSA-N
XLogP2.40
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.77
LogP ≤ 52.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[(2-chloro-6-methoxyphenyl)methyl]pentanamide
CID 103292496
1-amino-3-[(2-chloro-6-methoxyphenyl)methyl]urea
CID 103293245
1-[(2-chloro-6-methoxyphenyl)methyl]-3-[(2S)-1-[(S)-methylsulfinyl]propan-2-yl]urea
CID 99829367
methyl N-[(2-chloro-6-methoxyphenyl)methyl]carbamate
CID 103292136
(2S)-2-[2-(2-methoxyphenyl)ethylcarbamoylamino]pentanoic acid
CID 106261999
N-[(2-chloro-6-methoxyphenyl)methyl]-4-hydroxypentanamide
CID 103293468
1-[(2-chloro-6-methoxyphenyl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 103293265
2-[(2,5-dichlorophenyl)methylcarbamoylamino]pentanoic acid
CID 65315785
1-[(2-chloro-6-methoxyphenyl)methyl]-3-ethylthiourea
CID 103292116
(2S)-2-amino-N-[(2-chloro-6-methoxyphenyl)methyl]-3-methylpentanamide
CID 103292466
2-[(4-chloro-2-fluorophenyl)methylcarbamoylamino]pentanoic acid
CID 114848472
(2R)-2-amino-N-[(2-chloro-6-methoxyphenyl)methyl]-2-phenylacetamide
CID 103292472

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2-chloro-6-methoxyphenyl)methylcarbamoylamino]pentanoic acid?
The IUPAC name of (2R)-2-[(2-chloro-6-methoxyphenyl)methylcarbamoylamino]pentanoic acid (CID 107567819) is (2R)-2-[(2-chloro-6-methoxyphenyl)methylcarbamoylamino]pentanoic acid.
What is the SMILES notation for (2R)-2-[(2-chloro-6-methoxyphenyl)methylcarbamoylamino]pentanoic acid?
The canonical SMILES for (2R)-2-[(2-chloro-6-methoxyphenyl)methylcarbamoylamino]pentanoic acid is CCC[C@@H](NC(=O)NCc1c(Cl)cccc1OC)C(=O)O.
What is the InChIKey of (2R)-2-[(2-chloro-6-methoxyphenyl)methylcarbamoylamino]pentanoic acid?
The InChIKey is ZXUFQJUTMJEHNG-LLVKDONJSA-N. The full InChI is InChI=1S/C14H19ClN2O4/c1-3-5-11(13(18)19)17-14(20)16-8-9-10(15)6-4-7-12(9)21-2/h4,6-7,11H,3,5,8H2,1-2H3,(H,18,19)(H2,16,17,20)/t11-/m1/s1.
What are the key properties of (2R)-2-[(2-chloro-6-methoxyphenyl)methylcarbamoylamino]pentanoic acid?
(2R)-2-[(2-chloro-6-methoxyphenyl)methylcarbamoylamino]pentanoic acid has a molecular weight of 314.77 g/mol, XLogP of 2.40, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2-chloro-6-methoxyphenyl)methylcarbamoylamino]pentanoic acid is sourced from PubChem (CID 107567819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).