5-[[2-(methoxymethyl)phenyl]carbamoylamino]hexanoic acid

C15H22N2O4 — CID 82847223

IUPAC5-[[2-(methoxymethyl)phenyl]carbamoylamino]hexanoic acid
SMILESCOCc1ccccc1NC(=O)NC(C)CCCC(=O)O
InChIInChI=1S/C15H22N2O4/c1-11(6-5-9-14(18)19)16-15(20)17-13-8-4-3-7-12(13)10-21-2/h3-4,7-8,11H,5-6,9-10H2,1-2H3,(H,18,19)(H2,16,17,20)
InChIKeyQDNHINLQKCJTTI-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.60
Rot. Bonds8

About 5-[[2-(methoxymethyl)phenyl]carbamoylamino]hexanoic acid

5-[[2-(methoxymethyl)phenyl]carbamoylamino]hexanoic acid (PubChem CID 82847223) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is 5-[[2-(methoxymethyl)phenyl]carbamoylamino]hexanoic acid.

Molecular Properties

Compound Name5-[[2-(methoxymethyl)phenyl]carbamoylamino]hexanoic acid
PubChem CID82847223
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name5-[[2-(methoxymethyl)phenyl]carbamoylamino]hexanoic acid
SMILESCOCc1ccccc1NC(=O)NC(C)CCCC(=O)O
InChIInChI=1S/C15H22N2O4/c1-11(6-5-9-14(18)19)16-15(20)17-13-8-4-3-7-12(13)10-21-2/h3-4,7-8,11H,5-6,9-10H2,1-2H3,(H,18,19)(H2,16,17,20)
InChIKeyQDNHINLQKCJTTI-UHFFFAOYSA-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

5-[(2-aminophenyl)carbamoylamino]hexanoic acid
CID 82848077
(2S)-2-[[2-(methoxymethyl)phenyl]carbamoylamino]hexanoic acid
CID 107145726
(2R)-2-[[2-(methoxymethyl)phenyl]carbamoylamino]pentanoic acid
CID 107566509
5-[(3-bromo-2-methylphenyl)carbamoylamino]hexanoic acid
CID 107627437
3-amino-4-[2-(methoxymethyl)anilino]-4-oxobutanoic acid
CID 64896269
1-[2-(methoxymethyl)phenyl]-3-methylurea
CID 115582115
2-amino-N-[2-(methoxymethyl)phenyl]-3-methylbutanamide
CID 43700969
1-[2-(methoxymethyl)phenyl]-3-[(1S)-2,2,2-trifluoro-1-phenylethyl]urea
CID 95297580
1-(3,3-diphenylpropyl)-3-[2-(methoxymethyl)phenyl]urea
CID 52601128
1-[2-(methoxymethyl)phenyl]-3-[(R)-phenyl(pyridin-4-yl)methyl]urea
CID 95316666
(2R)-2-amino-N-[2-(methoxymethyl)phenyl]propanamide;hydrochloride
CID 119288747
N-[2-(methoxymethyl)phenyl]-2-(methylamino)propanamide
CID 62637466

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(methoxymethyl)phenyl]carbamoylamino]hexanoic acid?
The IUPAC name of 5-[[2-(methoxymethyl)phenyl]carbamoylamino]hexanoic acid (CID 82847223) is 5-[[2-(methoxymethyl)phenyl]carbamoylamino]hexanoic acid.
What is the SMILES notation for 5-[[2-(methoxymethyl)phenyl]carbamoylamino]hexanoic acid?
The canonical SMILES for 5-[[2-(methoxymethyl)phenyl]carbamoylamino]hexanoic acid is COCc1ccccc1NC(=O)NC(C)CCCC(=O)O.
What is the InChIKey of 5-[[2-(methoxymethyl)phenyl]carbamoylamino]hexanoic acid?
The InChIKey is QDNHINLQKCJTTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-11(6-5-9-14(18)19)16-15(20)17-13-8-4-3-7-12(13)10-21-2/h3-4,7-8,11H,5-6,9-10H2,1-2H3,(H,18,19)(H2,16,17,20).
What are the key properties of 5-[[2-(methoxymethyl)phenyl]carbamoylamino]hexanoic acid?
5-[[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 5-[[2-(methoxymethyl)phenyl]carbamoylamino]hexanoic acid is sourced from PubChem (CID 82847223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).