3-(carbamoylamino)-3-(4-chlorophenyl)propanoic acid

C10H11ClN2O3 — CID 3783103

IUPAC3-(carbamoylamino)-3-(4-chlorophenyl)propanoic acid
SMILESNC(=O)NC(CC(=O)O)c1ccc(Cl)cc1
InChIInChI=1S/C10H11ClN2O3/c11-7-3-1-6(2-4-7)8(5-9(14)15)13-10(12)16/h1-4,8H,5H2,(H,14,15)(H3,12,13,16)
InChIKeyWOSVIUFZAGUVTB-UHFFFAOYSA-N
MW242.66 g/mol
LogP1.52
Rot. Bonds4

About 3-(carbamoylamino)-3-(4-chlorophenyl)propanoic acid

3-(carbamoylamino)-3-(4-chlorophenyl)propanoic acid (PubChem CID 3783103) has the molecular formula C10H11ClN2O3 and a molecular weight of 242.66 g/mol. Its IUPAC name is 3-(carbamoylamino)-3-(4-chlorophenyl)propanoic acid.

Molecular Properties

Compound Name3-(carbamoylamino)-3-(4-chlorophenyl)propanoic acid
PubChem CID3783103
Molecular FormulaC10H11ClN2O3
Molecular Weight242.66 g/mol
Exact Mass242.05
IUPAC Name3-(carbamoylamino)-3-(4-chlorophenyl)propanoic acid
SMILESNC(=O)NC(CC(=O)O)c1ccc(Cl)cc1
InChIInChI=1S/C10H11ClN2O3/c11-7-3-1-6(2-4-7)8(5-9(14)15)13-10(12)16/h1-4,8H,5H2,(H,14,15)(H3,12,13,16)
InChIKeyWOSVIUFZAGUVTB-UHFFFAOYSA-N
XLogP1.52
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.66
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

3-Amino-3-(4-chlorophenyl)propanoic acid
CID 344176
Ethyl 4-(4-chlorophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
CID 602918
3-(4-Chlorophenyl)-3-(3-phenylpropanoylamino)propanoic acid
CID 4297390
(S)-2-[3-(4-Chloro-benzyl)-ureido]-3-methyl-pentanoic acid
CID 16682236
(S)-2-(3-((S)-1-Carboxy-5-(4-chlorobenzylamino)pentyl)ureido)pentanedioic Acid
CID 24953092
3-Benzoylamino-3-(4-chloro-phenyl)-propionic acid
CID 3865323
3-Amino-3-(2-chlorophenyl)propanoic acid
CID 239929
3-Amino-3-(3-chlorophenyl)propanoic acid
CID 2764178
3-Amino-3-(2,4-Dichlorophenyl)-Propionic Acid
CID 600035
N-[(4-chlorobenzyl)carbamoyl]-L-leucine
CID 664526
N-{[2-(4-chlorophenyl)ethyl]carbamoyl}-L-leucine
CID 664939
Prop-2-en-1-yl 4-(4-chlorophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
CID 2854561

Frequently Asked Questions

What is the IUPAC name of 3-(carbamoylamino)-3-(4-chlorophenyl)propanoic acid?
The IUPAC name of 3-(carbamoylamino)-3-(4-chlorophenyl)propanoic acid (CID 3783103) is 3-(carbamoylamino)-3-(4-chlorophenyl)propanoic acid.
What is the SMILES notation for 3-(carbamoylamino)-3-(4-chlorophenyl)propanoic acid?
The canonical SMILES for 3-(carbamoylamino)-3-(4-chlorophenyl)propanoic acid is NC(=O)NC(CC(=O)O)c1ccc(Cl)cc1.
What is the InChIKey of 3-(carbamoylamino)-3-(4-chlorophenyl)propanoic acid?
The InChIKey is WOSVIUFZAGUVTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O3/c11-7-3-1-6(2-4-7)8(5-9(14)15)13-10(12)16/h1-4,8H,5H2,(H,14,15)(H3,12,13,16).
What are the key properties of 3-(carbamoylamino)-3-(4-chlorophenyl)propanoic acid?
3-(carbamoylamino)-3-(4-chlorophenyl)propanoic acid has a molecular weight of 242.66 g/mol, XLogP of 1.52, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(carbamoylamino)-3-(4-chlorophenyl)propanoic acid is sourced from PubChem (CID 3783103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).