2-[(2,3-dichlorophenyl)carbamoylamino]acetic acid

C9H8Cl2N2O3 — CID 28508177

IUPAC2-[(2,3-dichlorophenyl)carbamoylamino]acetic acid
SMILESO=C(O)CNC(=O)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C9H8Cl2N2O3/c10-5-2-1-3-6(8(5)11)13-9(16)12-4-7(14)15/h1-3H,4H2,(H,14,15)(H2,12,13,16)
InChIKeyMARHEUIBBIQCTL-UHFFFAOYSA-N
MW263.08 g/mol
LogP2.20
Rot. Bonds3

About 2-[(2,3-dichlorophenyl)carbamoylamino]acetic acid

2-[(2,3-dichlorophenyl)carbamoylamino]acetic acid (PubChem CID 28508177) has the molecular formula C9H8Cl2N2O3 and a molecular weight of 263.08 g/mol. Its IUPAC name is 2-[(2,3-dichlorophenyl)carbamoylamino]acetic acid.

Molecular Properties

Compound Name2-[(2,3-dichlorophenyl)carbamoylamino]acetic acid
PubChem CID28508177
Molecular FormulaC9H8Cl2N2O3
Molecular Weight263.08 g/mol
Exact Mass261.99
IUPAC Name2-[(2,3-dichlorophenyl)carbamoylamino]acetic acid
SMILESO=C(O)CNC(=O)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C9H8Cl2N2O3/c10-5-2-1-3-6(8(5)11)13-9(16)12-4-7(14)15/h1-3H,4H2,(H,14,15)(H2,12,13,16)
InChIKeyMARHEUIBBIQCTL-UHFFFAOYSA-N
XLogP2.20
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.08
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2,6-dichlorophenyl)carbamoylamino]acetic acid
CID 28508172
1-(2,3-dichlorophenyl)-3-prop-2-ynylurea
CID 97180602
1-(2,3-dichlorophenyl)-3-propylurea
CID 4654956
3-[(2,3-dichlorophenyl)carbamoylamino]butanoic acid
CID 61200387
N-cyclopropyl-2-[(2,3-dichlorophenyl)carbamoylamino]acetamide
CID 47133418
N-[2-[(2,3-dichlorophenyl)carbamoylamino]ethyl]benzamide
CID 47032142
1-(2,3-dichlorophenyl)-3-(phenoxymethyl)urea
CID 108888756
(E)-4-[(2,3-dichlorophenyl)carbamoylamino]but-2-enoic acid
CID 112746635
4-[(2,3-dichlorophenyl)carbamoylamino]-3-hydroxy-3-methylbutanoic acid
CID 66002599
1-(2-chlorophenyl)-3-(2,3-dichlorophenyl)urea
CID 5174981
2-[(2-hydroxyphenyl)carbamoylamino]acetic acid
CID 19894710
1-(2,3-dichlorophenyl)-3-[2-(dimethylamino)ethyl]urea
CID 978037

Frequently Asked Questions

What is the IUPAC name of 2-[(2,3-dichlorophenyl)carbamoylamino]acetic acid?
The IUPAC name of 2-[(2,3-dichlorophenyl)carbamoylamino]acetic acid (CID 28508177) is 2-[(2,3-dichlorophenyl)carbamoylamino]acetic acid.
What is the SMILES notation for 2-[(2,3-dichlorophenyl)carbamoylamino]acetic acid?
The canonical SMILES for 2-[(2,3-dichlorophenyl)carbamoylamino]acetic acid is O=C(O)CNC(=O)Nc1cccc(Cl)c1Cl.
What is the InChIKey of 2-[(2,3-dichlorophenyl)carbamoylamino]acetic acid?
The InChIKey is MARHEUIBBIQCTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Cl2N2O3/c10-5-2-1-3-6(8(5)11)13-9(16)12-4-7(14)15/h1-3H,4H2,(H,14,15)(H2,12,13,16).
What are the key properties of 2-[(2,3-dichlorophenyl)carbamoylamino]acetic acid?
2-[(2,3-dichlorophenyl)carbamoylamino]acetic acid has a molecular weight of 263.08 g/mol, XLogP of 2.20, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,3-dichlorophenyl)carbamoylamino]acetic acid is sourced from PubChem (CID 28508177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).