(2S)-2-[[2-(methoxymethyl)phenyl]carbamoylamino]hexanoic acid

C15H22N2O4 — CID 107145726

IUPAC(2S)-2-[[2-(methoxymethyl)phenyl]carbamoylamino]hexanoic acid
SMILESCCCC[C@H](NC(=O)Nc1ccccc1COC)C(=O)O
InChIInChI=1S/C15H22N2O4/c1-3-4-8-13(14(18)19)17-15(20)16-12-9-6-5-7-11(12)10-21-2/h5-7,9,13H,3-4,8,10H2,1-2H3,(H,18,19)(H2,16,17,20)/t13-/m0/s1
InChIKeyHBWVBICABOETSC-ZDUSSCGKSA-N
MW294.35 g/mol
LogP2.60
Rot. Bonds8

About (2S)-2-[[2-(methoxymethyl)phenyl]carbamoylamino]hexanoic acid

(2S)-2-[[2-(methoxymethyl)phenyl]carbamoylamino]hexanoic acid (PubChem CID 107145726) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is (2S)-2-[[2-(methoxymethyl)phenyl]carbamoylamino]hexanoic acid.

Molecular Properties

Compound Name(2S)-2-[[2-(methoxymethyl)phenyl]carbamoylamino]hexanoic acid
PubChem CID107145726
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name(2S)-2-[[2-(methoxymethyl)phenyl]carbamoylamino]hexanoic acid
SMILESCCCC[C@H](NC(=O)Nc1ccccc1COC)C(=O)O
InChIInChI=1S/C15H22N2O4/c1-3-4-8-13(14(18)19)17-15(20)16-12-9-6-5-7-11(12)10-21-2/h5-7,9,13H,3-4,8,10H2,1-2H3,(H,18,19)(H2,16,17,20)/t13-/m0/s1
InChIKeyHBWVBICABOETSC-ZDUSSCGKSA-N
XLogP2.60
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[[2-(methoxymethyl)phenyl]carbamoylamino]pentanoic acid
CID 107566509
(2S)-2-[(2-ethylphenyl)carbamoylamino]hexanoic acid
CID 107145410
2-[(2-ethylphenyl)carbamoylamino]-4-methoxybutanoic acid
CID 62480074
2-[2-(methoxymethyl)anilino]pentanoic acid
CID 83041000
5-[[2-(methoxymethyl)phenyl]carbamoylamino]hexanoic acid
CID 82847223
2-[(2-ethylphenyl)carbamoylamino]-4-methylsulfanylbutanoic acid
CID 3281721
2-[(2,3-dimethylphenyl)carbamoylamino]-5-methoxypentanoic acid
CID 81086394
2-[(5-chloro-2-methoxyphenyl)carbamoylamino]hexanoic acid
CID 61184596
(2S)-2-[(2-bromo-5-methoxyphenyl)carbamoylamino]hexanoic acid
CID 107146231
(2R)-2-[(2-chlorophenyl)carbamoylamino]pentanoic acid
CID 107564789
(2S)-2-[(2-bromophenyl)carbamoylamino]pentanoic acid
CID 107566056
2-amino-N-[2-(methoxymethyl)phenyl]pentanamide
CID 43701011

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[2-(methoxymethyl)phenyl]carbamoylamino]hexanoic acid?
The IUPAC name of (2S)-2-[[2-(methoxymethyl)phenyl]carbamoylamino]hexanoic acid (CID 107145726) is (2S)-2-[[2-(methoxymethyl)phenyl]carbamoylamino]hexanoic acid.
What is the SMILES notation for (2S)-2-[[2-(methoxymethyl)phenyl]carbamoylamino]hexanoic acid?
The canonical SMILES for (2S)-2-[[2-(methoxymethyl)phenyl]carbamoylamino]hexanoic acid is CCCC[C@H](NC(=O)Nc1ccccc1COC)C(=O)O.
What is the InChIKey of (2S)-2-[[2-(methoxymethyl)phenyl]carbamoylamino]hexanoic acid?
The InChIKey is HBWVBICABOETSC-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-3-4-8-13(14(18)19)17-15(20)16-12-9-6-5-7-11(12)10-21-2/h5-7,9,13H,3-4,8,10H2,1-2H3,(H,18,19)(H2,16,17,20)/t13-/m0/s1.
What are the key properties of (2S)-2-[[2-(methoxymethyl)phenyl]carbamoylamino]hexanoic acid?
(2S)-2-[[2-(methoxymethyl)phenyl]carbamoylamino]hexanoic acid has a molecular weight of 294.35 g/mol, XLogP of 2.60, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[2-(methoxymethyl)phenyl]carbamoylamino]hexanoic acid is sourced from PubChem (CID 107145726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).