3-[(3,5-dichlorophenyl)carbamoylamino]propanoic acid

C10H10Cl2N2O3 — CID 28511134

IUPAC3-[(3,5-dichlorophenyl)carbamoylamino]propanoic acid
SMILESO=C(O)CCNC(=O)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C10H10Cl2N2O3/c11-6-3-7(12)5-8(4-6)14-10(17)13-2-1-9(15)16/h3-5H,1-2H2,(H,15,16)(H2,13,14,17)
InChIKeyHDMLJPGCWZFZTE-UHFFFAOYSA-N
MW277.11 g/mol
LogP2.59
Rot. Bonds4

About 3-[(3,5-dichlorophenyl)carbamoylamino]propanoic acid

3-[(3,5-dichlorophenyl)carbamoylamino]propanoic acid (PubChem CID 28511134) has the molecular formula C10H10Cl2N2O3 and a molecular weight of 277.11 g/mol. Its IUPAC name is 3-[(3,5-dichlorophenyl)carbamoylamino]propanoic acid.

Molecular Properties

Compound Name3-[(3,5-dichlorophenyl)carbamoylamino]propanoic acid
PubChem CID28511134
Molecular FormulaC10H10Cl2N2O3
Molecular Weight277.11 g/mol
Exact Mass276.01
IUPAC Name3-[(3,5-dichlorophenyl)carbamoylamino]propanoic acid
SMILESO=C(O)CCNC(=O)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C10H10Cl2N2O3/c11-6-3-7(12)5-8(4-6)14-10(17)13-2-1-9(15)16/h3-5H,1-2H2,(H,15,16)(H2,13,14,17)
InChIKeyHDMLJPGCWZFZTE-UHFFFAOYSA-N
XLogP2.59
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.11
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(3,5-dichlorophenyl)carbamoylamino]propanamide
CID 56814254
3-[(3,5-difluorophenyl)carbamoylamino]propanoic acid
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3-[(4-chloro-3,5-dimethoxyphenyl)carbamoylamino]propanoic acid
CID 122095209
1-(3,5-dichlorophenyl)-3-(4-hydroxybutyl)urea
CID 107143334
1-(3,5-dichlorophenyl)-3-pent-4-ynylurea
CID 103709982
3-[(3-bromo-5-methylphenyl)carbamoylamino]propanoic acid
CID 107576602
1-[2-(cyclopropylamino)ethyl]-3-(3,5-dichlorophenyl)urea
CID 107654056
6-[(3-chlorophenyl)carbamoylamino]hexanoic acid
CID 13414912
1-[(4E)-4-amino-4-hydroxyiminobutyl]-3-(3,5-dichlorophenyl)urea
CID 107654487
3-[[3,5-dichloro-4-(2,2,2-trifluoroethoxy)phenyl]carbamoylamino]propanoic acid
CID 122088279
3-[(3-iodo-5-methylphenyl)carbamoylamino]propanoic acid
CID 122093342
1-(3,5-dichlorophenyl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
CID 103719568

Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-dichlorophenyl)carbamoylamino]propanoic acid?
The IUPAC name of 3-[(3,5-dichlorophenyl)carbamoylamino]propanoic acid (CID 28511134) is 3-[(3,5-dichlorophenyl)carbamoylamino]propanoic acid.
What is the SMILES notation for 3-[(3,5-dichlorophenyl)carbamoylamino]propanoic acid?
The canonical SMILES for 3-[(3,5-dichlorophenyl)carbamoylamino]propanoic acid is O=C(O)CCNC(=O)Nc1cc(Cl)cc(Cl)c1.
What is the InChIKey of 3-[(3,5-dichlorophenyl)carbamoylamino]propanoic acid?
The InChIKey is HDMLJPGCWZFZTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2N2O3/c11-6-3-7(12)5-8(4-6)14-10(17)13-2-1-9(15)16/h3-5H,1-2H2,(H,15,16)(H2,13,14,17).
What are the key properties of 3-[(3,5-dichlorophenyl)carbamoylamino]propanoic acid?
3-[(3,5-dichlorophenyl)carbamoylamino]propanoic acid has a molecular weight of 277.11 g/mol, XLogP of 2.59, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-dichlorophenyl)carbamoylamino]propanoic acid is sourced from PubChem (CID 28511134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).