(2R)-2-[[(4-methoxyphenyl)methyl-methylcarbamoyl]amino]pentanoic acid

C15H22N2O4 — CID 107566389

IUPAC(2R)-2-[[(4-methoxyphenyl)methyl-methylcarbamoyl]amino]pentanoic acid
SMILESCCC[C@@H](NC(=O)N(C)Cc1ccc(OC)cc1)C(=O)O
InChIInChI=1S/C15H22N2O4/c1-4-5-13(14(18)19)16-15(20)17(2)10-11-6-8-12(21-3)9-7-11/h6-9,13H,4-5,10H2,1-3H3,(H,16,20)(H,18,19)/t13-/m1/s1
InChIKeyXQHNXTMBACOGNT-CYBMUJFWSA-N
MW294.35 g/mol
LogP2.09
Rot. Bonds7

About (2R)-2-[[(4-methoxyphenyl)methyl-methylcarbamoyl]amino]pentanoic acid

(2R)-2-[[(4-methoxyphenyl)methyl-methylcarbamoyl]amino]pentanoic acid (PubChem CID 107566389) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is (2R)-2-[[(4-methoxyphenyl)methyl-methylcarbamoyl]amino]pentanoic acid.

Molecular Properties

Compound Name(2R)-2-[[(4-methoxyphenyl)methyl-methylcarbamoyl]amino]pentanoic acid
PubChem CID107566389
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name(2R)-2-[[(4-methoxyphenyl)methyl-methylcarbamoyl]amino]pentanoic acid
SMILESCCC[C@@H](NC(=O)N(C)Cc1ccc(OC)cc1)C(=O)O
InChIInChI=1S/C15H22N2O4/c1-4-5-13(14(18)19)16-15(20)17(2)10-11-6-8-12(21-3)9-7-11/h6-9,13H,4-5,10H2,1-3H3,(H,16,20)(H,18,19)/t13-/m1/s1
InChIKeyXQHNXTMBACOGNT-CYBMUJFWSA-N
XLogP2.09
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[[methyl(thiophen-3-ylmethyl)carbamoyl]amino]pentanoic acid
CID 107566204
4-methoxy-2-[[methyl-[(4-methylphenyl)methyl]carbamoyl]amino]butanoic acid
CID 62480404
(2S)-2-[3-(4-methoxyphenyl)propanoylamino]pentanoic acid
CID 107563743
2-[[(4-chlorophenyl)methyl-methylcarbamoyl]amino]-4-methoxybutanoic acid
CID 62480772
1-[(4-methoxyphenyl)methyl]-1,3-dimethylurea
CID 115575178
2-[[benzyl(methyl)carbamoyl]amino]-5-methoxypentanoic acid
CID 81085362
(2S)-2-[[(4-methoxyphenyl)-methylcarbamoyl]amino]hexanoic acid
CID 107145948
2-[3-(4-methoxyphenoxy)propanoylamino]pentanoic acid
CID 43630645
(2R)-2-[[(4-bromophenyl)methyl-methylcarbamoyl]amino]-4-hydroxybutanoic acid
CID 107826606
2-[[(4-methoxyphenyl)methyl-methylcarbamoyl]amino]-2-methylbutanoic acid
CID 79791741
2-amino-N-[(4-methoxyphenyl)methyl]-N-methylpentanamide;hydrochloride
CID 119266470
(2R)-2-(4-methoxyanilino)pentanoic acid
CID 11085419

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(4-methoxyphenyl)methyl-methylcarbamoyl]amino]pentanoic acid?
The IUPAC name of (2R)-2-[[(4-methoxyphenyl)methyl-methylcarbamoyl]amino]pentanoic acid (CID 107566389) is (2R)-2-[[(4-methoxyphenyl)methyl-methylcarbamoyl]amino]pentanoic acid.
What is the SMILES notation for (2R)-2-[[(4-methoxyphenyl)methyl-methylcarbamoyl]amino]pentanoic acid?
The canonical SMILES for (2R)-2-[[(4-methoxyphenyl)methyl-methylcarbamoyl]amino]pentanoic acid is CCC[C@@H](NC(=O)N(C)Cc1ccc(OC)cc1)C(=O)O.
What is the InChIKey of (2R)-2-[[(4-methoxyphenyl)methyl-methylcarbamoyl]amino]pentanoic acid?
The InChIKey is XQHNXTMBACOGNT-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-4-5-13(14(18)19)16-15(20)17(2)10-11-6-8-12(21-3)9-7-11/h6-9,13H,4-5,10H2,1-3H3,(H,16,20)(H,18,19)/t13-/m1/s1.
What are the key properties of (2R)-2-[[(4-methoxyphenyl)methyl-methylcarbamoyl]amino]pentanoic acid?
(2R)-2-[[(4-methoxyphenyl)methyl-methylcarbamoyl]amino]pentanoic acid has a molecular weight of 294.35 g/mol, XLogP of 2.09, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(4-methoxyphenyl)methyl-methylcarbamoyl]amino]pentanoic acid is sourced from PubChem (CID 107566389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).