2-[(3-methoxyphenyl)carbamoylamino]pentanedioic acid

C13H16N2O6 — CID 61191979

IUPAC2-[(3-methoxyphenyl)carbamoylamino]pentanedioic acid
SMILESCOc1cccc(NC(=O)NC(CCC(=O)O)C(=O)O)c1
InChIInChI=1S/C13H16N2O6/c1-21-9-4-2-3-8(7-9)14-13(20)15-10(12(18)19)5-6-11(16)17/h2-4,7,10H,5-6H2,1H3,(H,16,17)(H,18,19)(H2,14,15,20)
InChIKeyILISGRPAXMTMIU-UHFFFAOYSA-N
MW296.28 g/mol
LogP1.13
Rot. Bonds7

About 2-[(3-methoxyphenyl)carbamoylamino]pentanedioic acid

2-[(3-methoxyphenyl)carbamoylamino]pentanedioic acid (PubChem CID 61191979) has the molecular formula C13H16N2O6 and a molecular weight of 296.28 g/mol. Its IUPAC name is 2-[(3-methoxyphenyl)carbamoylamino]pentanedioic acid.

Molecular Properties

Compound Name2-[(3-methoxyphenyl)carbamoylamino]pentanedioic acid
PubChem CID61191979
Molecular FormulaC13H16N2O6
Molecular Weight296.28 g/mol
Exact Mass296.10
IUPAC Name2-[(3-methoxyphenyl)carbamoylamino]pentanedioic acid
SMILESCOc1cccc(NC(=O)NC(CCC(=O)O)C(=O)O)c1
InChIInChI=1S/C13H16N2O6/c1-21-9-4-2-3-8(7-9)14-13(20)15-10(12(18)19)5-6-11(16)17/h2-4,7,10H,5-6H2,1H3,(H,16,17)(H,18,19)(H2,14,15,20)
InChIKeyILISGRPAXMTMIU-UHFFFAOYSA-N
XLogP1.13
TPSA124.96 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.28
LogP ≤ 51.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-5-amino-2-[(3-methoxyphenyl)carbamoylamino]-5-oxopentanoic acid
CID 61200031
2-[(3-methoxyphenyl)carbamoylamino]-4-methylsulfanylbutanoic acid
CID 3326622
(2S)-2-[(3-bromophenyl)carbamoylamino]pentanedioic acid
CID 61190320
2-[(3,4-dimethylphenyl)carbamoylamino]pentanedioic acid
CID 61189965
(2S,3R)-2-[(3-methoxyphenyl)carbamoylamino]-3-methylpentanoic acid
CID 938942
(2S)-N-hydroxy-2-[(3-methoxyphenyl)carbamoylamino]-4-methylpentanamide
CID 71584556
2-[[4-(methoxymethyl)phenyl]carbamoylamino]pentanedioic acid
CID 142867656
(2S)-2-[(3-methoxyphenyl)methylamino]pentanedioic acid
CID 10683241
(2S)-2-[(3,5-dimethylphenyl)carbamoylamino]pentanedioic acid
CID 61191038
2-[(3,4-difluorophenyl)carbamoylamino]pentanedioic acid
CID 61185609
N-[3-[(3-methoxyphenyl)carbamoylamino]phenyl]acetamide
CID 6467465
(2R)-2-[(3-bromophenyl)carbamoylamino]hexanedioic acid
CID 107838137

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxyphenyl)carbamoylamino]pentanedioic acid?
The IUPAC name of 2-[(3-methoxyphenyl)carbamoylamino]pentanedioic acid (CID 61191979) is 2-[(3-methoxyphenyl)carbamoylamino]pentanedioic acid.
What is the SMILES notation for 2-[(3-methoxyphenyl)carbamoylamino]pentanedioic acid?
The canonical SMILES for 2-[(3-methoxyphenyl)carbamoylamino]pentanedioic acid is COc1cccc(NC(=O)NC(CCC(=O)O)C(=O)O)c1.
What is the InChIKey of 2-[(3-methoxyphenyl)carbamoylamino]pentanedioic acid?
The InChIKey is ILISGRPAXMTMIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O6/c1-21-9-4-2-3-8(7-9)14-13(20)15-10(12(18)19)5-6-11(16)17/h2-4,7,10H,5-6H2,1H3,(H,16,17)(H,18,19)(H2,14,15,20).
What are the key properties of 2-[(3-methoxyphenyl)carbamoylamino]pentanedioic acid?
2-[(3-methoxyphenyl)carbamoylamino]pentanedioic acid has a molecular weight of 296.28 g/mol, XLogP of 1.13, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxyphenyl)carbamoylamino]pentanedioic acid is sourced from PubChem (CID 61191979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).