2-cyclopropyl-2-[(3,4-dichlorophenyl)carbamoylamino]propanoic acid

C13H14Cl2N2O3 — CID 43163255

IUPAC2-cyclopropyl-2-[(3,4-dichlorophenyl)carbamoylamino]propanoic acid
SMILESCC(NC(=O)Nc1ccc(Cl)c(Cl)c1)(C(=O)O)C1CC1
InChIInChI=1S/C13H14Cl2N2O3/c1-13(11(18)19,7-2-3-7)17-12(20)16-8-4-5-9(14)10(15)6-8/h4-7H,2-3H2,1H3,(H,18,19)(H2,16,17,20)
InChIKeyZLXUNHHYODTVAJ-UHFFFAOYSA-N
MW317.17 g/mol
LogP3.37
Rot. Bonds4

About 2-cyclopropyl-2-[(3,4-dichlorophenyl)carbamoylamino]propanoic acid

2-cyclopropyl-2-[(3,4-dichlorophenyl)carbamoylamino]propanoic acid (PubChem CID 43163255) has the molecular formula C13H14Cl2N2O3 and a molecular weight of 317.17 g/mol. Its IUPAC name is 2-cyclopropyl-2-[(3,4-dichlorophenyl)carbamoylamino]propanoic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[(3,4-dichlorophenyl)carbamoylamino]propanoic acid
PubChem CID43163255
Molecular FormulaC13H14Cl2N2O3
Molecular Weight317.17 g/mol
Exact Mass316.04
IUPAC Name2-cyclopropyl-2-[(3,4-dichlorophenyl)carbamoylamino]propanoic acid
SMILESCC(NC(=O)Nc1ccc(Cl)c(Cl)c1)(C(=O)O)C1CC1
InChIInChI=1S/C13H14Cl2N2O3/c1-13(11(18)19,7-2-3-7)17-12(20)16-8-4-5-9(14)10(15)6-8/h4-7H,2-3H2,1H3,(H,18,19)(H2,16,17,20)
InChIKeyZLXUNHHYODTVAJ-UHFFFAOYSA-N
XLogP3.37
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.17
LogP ≤ 53.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopropyl-2-[(3,5-dichloro-4-fluorophenyl)carbamoylamino]propanoic acid
CID 107576368
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2-cyclopropyl-2-[[3-(dimethylamino)phenyl]carbamoylamino]propanoic acid
CID 115378476
2-cyclopropyl-2-[(3-fluoro-4-methoxyphenyl)carbamoylamino]propanoic acid
CID 61199203
2-cyclopropyl-2-(pyrimidin-2-ylcarbamoylamino)propanoic acid
CID 61185585
1-(1-amino-2-cyclopropylpropan-2-yl)-3-(3-chloro-4-methylphenyl)urea
CID 115307816
2-[(3-chloropyridine-4-carbonyl)amino]-2-cyclopropylpropanoic acid
CID 66464958
1-(3,4-dichlorophenyl)-3-[2-(3-phenylphenyl)propan-2-yl]urea
CID 70850941
1-(cyclohexylmethyl)-3-(3,4-dichlorophenyl)urea
CID 5235617
N-cyclopropyl-N'-(3,4-dichlorophenyl)oxamide
CID 2193894
(2S)-2-[(3,4-dichlorophenyl)carbamoylamino]propanoic acid
CID 945760
1-[(E)-2-cyclopropylethenyl]-3-(3,4-dichlorophenyl)urea
CID 108915680

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[(3,4-dichlorophenyl)carbamoylamino]propanoic acid?
The IUPAC name of 2-cyclopropyl-2-[(3,4-dichlorophenyl)carbamoylamino]propanoic acid (CID 43163255) is 2-cyclopropyl-2-[(3,4-dichlorophenyl)carbamoylamino]propanoic acid.
What is the SMILES notation for 2-cyclopropyl-2-[(3,4-dichlorophenyl)carbamoylamino]propanoic acid?
The canonical SMILES for 2-cyclopropyl-2-[(3,4-dichlorophenyl)carbamoylamino]propanoic acid is CC(NC(=O)Nc1ccc(Cl)c(Cl)c1)(C(=O)O)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-[(3,4-dichlorophenyl)carbamoylamino]propanoic acid?
The InChIKey is ZLXUNHHYODTVAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N2O3/c1-13(11(18)19,7-2-3-7)17-12(20)16-8-4-5-9(14)10(15)6-8/h4-7H,2-3H2,1H3,(H,18,19)(H2,16,17,20).
What are the key properties of 2-cyclopropyl-2-[(3,4-dichlorophenyl)carbamoylamino]propanoic acid?
2-cyclopropyl-2-[(3,4-dichlorophenyl)carbamoylamino]propanoic acid has a molecular weight of 317.17 g/mol, XLogP of 3.37, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[(3,4-dichlorophenyl)carbamoylamino]propanoic acid is sourced from PubChem (CID 43163255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).