2-[[ethyl(phenyl)carbamoyl]amino]pentanedioic acid

C14H18N2O5 — CID 61191995

IUPAC2-[[ethyl(phenyl)carbamoyl]amino]pentanedioic acid
SMILESCCN(C(=O)NC(CCC(=O)O)C(=O)O)c1ccccc1
InChIInChI=1S/C14H18N2O5/c1-2-16(10-6-4-3-5-7-10)14(21)15-11(13(19)20)8-9-12(17)18/h3-7,11H,2,8-9H2,1H3,(H,15,21)(H,17,18)(H,19,20)
InChIKeyDNKLCDXYFWASEO-UHFFFAOYSA-N
MW294.31 g/mol
LogP1.54
Rot. Bonds7

About 2-[[ethyl(phenyl)carbamoyl]amino]pentanedioic acid

2-[[ethyl(phenyl)carbamoyl]amino]pentanedioic acid (PubChem CID 61191995) has the molecular formula C14H18N2O5 and a molecular weight of 294.31 g/mol. Its IUPAC name is 2-[[ethyl(phenyl)carbamoyl]amino]pentanedioic acid.

Molecular Properties

Compound Name2-[[ethyl(phenyl)carbamoyl]amino]pentanedioic acid
PubChem CID61191995
Molecular FormulaC14H18N2O5
Molecular Weight294.31 g/mol
Exact Mass294.12
IUPAC Name2-[[ethyl(phenyl)carbamoyl]amino]pentanedioic acid
SMILESCCN(C(=O)NC(CCC(=O)O)C(=O)O)c1ccccc1
InChIInChI=1S/C14H18N2O5/c1-2-16(10-6-4-3-5-7-10)14(21)15-11(13(19)20)8-9-12(17)18/h3-7,11H,2,8-9H2,1H3,(H,15,21)(H,17,18)(H,19,20)
InChIKeyDNKLCDXYFWASEO-UHFFFAOYSA-N
XLogP1.54
TPSA106.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[ethyl(phenyl)carbamoyl]amino]butanoic acid
CID 61191471
5-(N-ethylanilino)-4-methyl-5-oxopentanoic acid
CID 11492533
(2R)-2-[[ethyl-(4-fluorophenyl)carbamoyl]amino]-4-hydroxybutanoic acid
CID 107827402
(2S)-2-[[ethyl-(3-fluorophenyl)carbamoyl]amino]hexanoic acid
CID 107145902
methyl 2-[[ethyl(phenyl)carbamoyl]amino]-4-methylsulfanylbutanoate
CID 73401856
3-[[ethyl(phenyl)carbamoyl]amino]-2-methylpropanoic acid
CID 62670102
(2S)-2-[[ethyl-(3-hydroxyphenyl)carbamoyl]amino]-3-hydroxypropanoic acid
CID 107737365
(2S)-2-[[ethyl(thiophen-2-ylmethyl)carbamoyl]amino]pentanedioic acid
CID 61437777
(2S)-4-amino-2-[[ethyl-(4-methylphenyl)carbamoyl]amino]-4-oxobutanoic acid
CID 63717562
4-[N-(pentan-3-ylcarbamoyl)anilino]butanoic acid
CID 61188489
(2R)-4-amino-2-[[ethyl-(4-fluorophenyl)carbamoyl]amino]-4-oxobutanoic acid
CID 107827403
(2S)-2-[[butan-2-yl(methyl)carbamoyl]amino]pentanedioic acid
CID 61194747

Frequently Asked Questions

What is the IUPAC name of 2-[[ethyl(phenyl)carbamoyl]amino]pentanedioic acid?
The IUPAC name of 2-[[ethyl(phenyl)carbamoyl]amino]pentanedioic acid (CID 61191995) is 2-[[ethyl(phenyl)carbamoyl]amino]pentanedioic acid.
What is the SMILES notation for 2-[[ethyl(phenyl)carbamoyl]amino]pentanedioic acid?
The canonical SMILES for 2-[[ethyl(phenyl)carbamoyl]amino]pentanedioic acid is CCN(C(=O)NC(CCC(=O)O)C(=O)O)c1ccccc1.
What is the InChIKey of 2-[[ethyl(phenyl)carbamoyl]amino]pentanedioic acid?
The InChIKey is DNKLCDXYFWASEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O5/c1-2-16(10-6-4-3-5-7-10)14(21)15-11(13(19)20)8-9-12(17)18/h3-7,11H,2,8-9H2,1H3,(H,15,21)(H,17,18)(H,19,20).
What are the key properties of 2-[[ethyl(phenyl)carbamoyl]amino]pentanedioic acid?
2-[[ethyl(phenyl)carbamoyl]amino]pentanedioic acid has a molecular weight of 294.31 g/mol, XLogP of 1.54, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethyl(phenyl)carbamoyl]amino]pentanedioic acid is sourced from PubChem (CID 61191995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).