2-[[ethyl(methylcarbamoyl)carbamoyl]amino]-2-phenylacetic acid

C13H17N3O4 — CID 21444788

IUPAC2-[[ethyl(methylcarbamoyl)carbamoyl]amino]-2-phenylacetic acid
SMILESCCN(C(=O)NC)C(=O)NC(C(=O)O)c1ccccc1
InChIInChI=1S/C13H17N3O4/c1-3-16(12(19)14-2)13(20)15-10(11(17)18)9-7-5-4-6-8-9/h4-8,10H,3H2,1-2H3,(H,14,19)(H,15,20)(H,17,18)
InChIKeyWLXXFDALVQAQID-UHFFFAOYSA-N
MW279.30 g/mol
LogP1.18
Rot. Bonds4

About 2-[[ethyl(methylcarbamoyl)carbamoyl]amino]-2-phenylacetic acid

2-[[ethyl(methylcarbamoyl)carbamoyl]amino]-2-phenylacetic acid (PubChem CID 21444788) has the molecular formula C13H17N3O4 and a molecular weight of 279.30 g/mol. Its IUPAC name is 2-[[ethyl(methylcarbamoyl)carbamoyl]amino]-2-phenylacetic acid.

Molecular Properties

Compound Name2-[[ethyl(methylcarbamoyl)carbamoyl]amino]-2-phenylacetic acid
PubChem CID21444788
Molecular FormulaC13H17N3O4
Molecular Weight279.30 g/mol
Exact Mass279.12
IUPAC Name2-[[ethyl(methylcarbamoyl)carbamoyl]amino]-2-phenylacetic acid
SMILESCCN(C(=O)NC)C(=O)NC(C(=O)O)c1ccccc1
InChIInChI=1S/C13H17N3O4/c1-3-16(12(19)14-2)13(20)15-10(11(17)18)9-7-5-4-6-8-9/h4-8,10H,3H2,1-2H3,(H,14,19)(H,15,20)(H,17,18)
InChIKeyWLXXFDALVQAQID-UHFFFAOYSA-N
XLogP1.18
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[ethyl(propan-2-yl)carbamoyl]amino]-2-phenylacetic acid
CID 61193945
2-[[ethyl(formyl)carbamoyl]amino]-2-phenylacetic acid
CID 21444799
(2R)-2-(dimethylcarbamoylamino)-2-phenylacetic acid
CID 59166508
2-[[acetyl(benzyl)carbamoyl]amino]-2-phenylacetic acid
CID 21444742
ethane;2-phenyl-2-(propanoylamino)acetic acid
CID 169177605
(2S)-2-[[2-(diethylsulfamoyl)acetyl]amino]-2-phenylacetic acid
CID 119372250
(2S)-2-[[2-hydroxyethyl(propan-2-yl)carbamoyl]amino]-2-phenylacetic acid
CID 104899000
(2S)-2-[[3-(methylamino)-3-oxopropyl]carbamoylamino]-2-phenylacetic acid
CID 103999864
(2R)-2-(pentylcarbamoylamino)-2-phenylacetic acid
CID 61183256
(2R)-2-[[methyl-(2-methyloxolan-3-yl)carbamoyl]amino]-2-phenylacetic acid
CID 82729817
(2R)-2-phenyl-2-(3-phenylpentanoylamino)acetic acid
CID 119368014
(2S)-2-(hexanoylamino)-2-phenylacetic acid
CID 28880777

Frequently Asked Questions

What is the IUPAC name of 2-[[ethyl(methylcarbamoyl)carbamoyl]amino]-2-phenylacetic acid?
The IUPAC name of 2-[[ethyl(methylcarbamoyl)carbamoyl]amino]-2-phenylacetic acid (CID 21444788) is 2-[[ethyl(methylcarbamoyl)carbamoyl]amino]-2-phenylacetic acid.
What is the SMILES notation for 2-[[ethyl(methylcarbamoyl)carbamoyl]amino]-2-phenylacetic acid?
The canonical SMILES for 2-[[ethyl(methylcarbamoyl)carbamoyl]amino]-2-phenylacetic acid is CCN(C(=O)NC)C(=O)NC(C(=O)O)c1ccccc1.
What is the InChIKey of 2-[[ethyl(methylcarbamoyl)carbamoyl]amino]-2-phenylacetic acid?
The InChIKey is WLXXFDALVQAQID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O4/c1-3-16(12(19)14-2)13(20)15-10(11(17)18)9-7-5-4-6-8-9/h4-8,10H,3H2,1-2H3,(H,14,19)(H,15,20)(H,17,18).
What are the key properties of 2-[[ethyl(methylcarbamoyl)carbamoyl]amino]-2-phenylacetic acid?
2-[[ethyl(methylcarbamoyl)carbamoyl]amino]-2-phenylacetic acid has a molecular weight of 279.30 g/mol, XLogP of 1.18, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethyl(methylcarbamoyl)carbamoyl]amino]-2-phenylacetic acid is sourced from PubChem (CID 21444788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).