5-[(3-methoxycarbonylphenyl)carbamoylamino]pentanoic acid

C14H18N2O5 — CID 58757430

IUPAC5-[(3-methoxycarbonylphenyl)carbamoylamino]pentanoic acid
SMILESCOC(=O)c1cccc(NC(=O)NCCCCC(=O)O)c1
InChIInChI=1S/C14H18N2O5/c1-21-13(19)10-5-4-6-11(9-10)16-14(20)15-8-3-2-7-12(17)18/h4-6,9H,2-3,7-8H2,1H3,(H,17,18)(H2,15,16,20)
InChIKeyLKGDTGPBTNBDGW-UHFFFAOYSA-N
MW294.31 g/mol
LogP1.85
Rot. Bonds7

About 5-[(3-methoxycarbonylphenyl)carbamoylamino]pentanoic acid

5-[(3-methoxycarbonylphenyl)carbamoylamino]pentanoic acid (PubChem CID 58757430) has the molecular formula C14H18N2O5 and a molecular weight of 294.31 g/mol. Its IUPAC name is 5-[(3-methoxycarbonylphenyl)carbamoylamino]pentanoic acid.

Molecular Properties

Compound Name5-[(3-methoxycarbonylphenyl)carbamoylamino]pentanoic acid
PubChem CID58757430
Molecular FormulaC14H18N2O5
Molecular Weight294.31 g/mol
Exact Mass294.12
IUPAC Name5-[(3-methoxycarbonylphenyl)carbamoylamino]pentanoic acid
SMILESCOC(=O)c1cccc(NC(=O)NCCCCC(=O)O)c1
InChIInChI=1S/C14H18N2O5/c1-21-13(19)10-5-4-6-11(9-10)16-14(20)15-8-3-2-7-12(17)18/h4-6,9H,2-3,7-8H2,1H3,(H,17,18)(H2,15,16,20)
InChIKeyLKGDTGPBTNBDGW-UHFFFAOYSA-N
XLogP1.85
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-[(3-chlorophenyl)carbamoylamino]hexanoic acid
CID 13414912
methyl 3-[3-(2-methylphenoxy)propylcarbamoylamino]benzoate
CID 108884001
4-[(3-methylperoxyphenyl)carbamoylamino]butanoic acid
CID 88964429
5-[(3-formylphenyl)carbamoylamino]pentanoic acid
CID 59745112
6-[(3-acetamidobenzoyl)amino]hexanoic acid
CID 43170043
methyl 3-(4-benzamidobutanoylamino)benzoate
CID 39769177
methyl 3-(2-methylpropylcarbamoylamino)benzoate
CID 39732859
methyl 3-(butylcarbamothioylamino)benzoate
CID 17265371
methyl 3-[2-(4-methoxyphenoxy)ethylcarbamoylamino]benzoate
CID 108990581
6-[(3,4-dimethylphenyl)carbamoylamino]hexanoic acid
CID 61190966
methyl 3-[2-(3-methoxyphenyl)ethylcarbamoylamino]benzoate
CID 4999432
3-[(3-methoxycarbonylphenyl)carbamoyl-methylamino]propanoic acid
CID 122076118

Frequently Asked Questions

What is the IUPAC name of 5-[(3-methoxycarbonylphenyl)carbamoylamino]pentanoic acid?
The IUPAC name of 5-[(3-methoxycarbonylphenyl)carbamoylamino]pentanoic acid (CID 58757430) is 5-[(3-methoxycarbonylphenyl)carbamoylamino]pentanoic acid.
What is the SMILES notation for 5-[(3-methoxycarbonylphenyl)carbamoylamino]pentanoic acid?
The canonical SMILES for 5-[(3-methoxycarbonylphenyl)carbamoylamino]pentanoic acid is COC(=O)c1cccc(NC(=O)NCCCCC(=O)O)c1.
What is the InChIKey of 5-[(3-methoxycarbonylphenyl)carbamoylamino]pentanoic acid?
The InChIKey is LKGDTGPBTNBDGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O5/c1-21-13(19)10-5-4-6-11(9-10)16-14(20)15-8-3-2-7-12(17)18/h4-6,9H,2-3,7-8H2,1H3,(H,17,18)(H2,15,16,20).
What are the key properties of 5-[(3-methoxycarbonylphenyl)carbamoylamino]pentanoic acid?
5-[(3-methoxycarbonylphenyl)carbamoylamino]pentanoic acid has a molecular weight of 294.31 g/mol, XLogP of 1.85, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-methoxycarbonylphenyl)carbamoylamino]pentanoic acid is sourced from PubChem (CID 58757430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).