2-[(2,6-dichlorophenyl)methylcarbamoylamino]acetic acid

C10H10Cl2N2O3 — CID 28880664

IUPAC2-[(2,6-dichlorophenyl)methylcarbamoylamino]acetic acid
SMILESO=C(O)CNC(=O)NCc1c(Cl)cccc1Cl
InChIInChI=1S/C10H10Cl2N2O3/c11-7-2-1-3-8(12)6(7)4-13-10(17)14-5-9(15)16/h1-3H,4-5H2,(H,15,16)(H2,13,14,17)
InChIKeyZPBZHBXFPKTJHJ-UHFFFAOYSA-N
MW277.11 g/mol
LogP1.88
Rot. Bonds4

About 2-[(2,6-dichlorophenyl)methylcarbamoylamino]acetic acid

2-[(2,6-dichlorophenyl)methylcarbamoylamino]acetic acid (PubChem CID 28880664) has the molecular formula C10H10Cl2N2O3 and a molecular weight of 277.11 g/mol. Its IUPAC name is 2-[(2,6-dichlorophenyl)methylcarbamoylamino]acetic acid.

Molecular Properties

Compound Name2-[(2,6-dichlorophenyl)methylcarbamoylamino]acetic acid
PubChem CID28880664
Molecular FormulaC10H10Cl2N2O3
Molecular Weight277.11 g/mol
Exact Mass276.01
IUPAC Name2-[(2,6-dichlorophenyl)methylcarbamoylamino]acetic acid
SMILESO=C(O)CNC(=O)NCc1c(Cl)cccc1Cl
InChIInChI=1S/C10H10Cl2N2O3/c11-7-2-1-3-8(12)6(7)4-13-10(17)14-5-9(15)16/h1-3H,4-5H2,(H,15,16)(H2,13,14,17)
InChIKeyZPBZHBXFPKTJHJ-UHFFFAOYSA-N
XLogP1.88
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 ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(2,6-dichlorophenyl)methylcarbamic acid
CID 77230594
2-[(2,6-dichlorophenyl)carbamoylamino]acetic acid
CID 28508172
2-[(2,3-dichlorophenyl)carbamoylamino]acetic acid
CID 28508177
2-[[2-(benzylcarbamoylamino)acetyl]amino]acetic acid
CID 61181658
2-[(2-ethylphenyl)methylcarbamoylamino]acetic acid
CID 64693284
2-[(3-bromophenyl)methylcarbamoylamino]acetic acid
CID 16781261
2-[(3-fluorophenyl)methylcarbamoylamino]acetic acid
CID 16780933
2-[(3-chloro-2-pyridinyl)carbamoylamino]acetic acid
CID 103094708
2-[[2-[(2,3-dichlorophenyl)methylamino]acetyl]amino]acetic acid
CID 82364686
1-[(2-chloro-6-phenoxyphenyl)methyl]-3-phenylurea
CID 2811720
2-[(3-cyanophenyl)methylcarbamoylamino]acetic acid
CID 16795379
1-amino-3-[(2-chloro-6-methoxyphenyl)methyl]urea
CID 103293245

Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dichlorophenyl)methylcarbamoylamino]acetic acid?
The IUPAC name of 2-[(2,6-dichlorophenyl)methylcarbamoylamino]acetic acid (CID 28880664) is 2-[(2,6-dichlorophenyl)methylcarbamoylamino]acetic acid.
What is the SMILES notation for 2-[(2,6-dichlorophenyl)methylcarbamoylamino]acetic acid?
The canonical SMILES for 2-[(2,6-dichlorophenyl)methylcarbamoylamino]acetic acid is O=C(O)CNC(=O)NCc1c(Cl)cccc1Cl.
What is the InChIKey of 2-[(2,6-dichlorophenyl)methylcarbamoylamino]acetic acid?
The InChIKey is ZPBZHBXFPKTJHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2N2O3/c11-7-2-1-3-8(12)6(7)4-13-10(17)14-5-9(15)16/h1-3H,4-5H2,(H,15,16)(H2,13,14,17).
What are the key properties of 2-[(2,6-dichlorophenyl)methylcarbamoylamino]acetic acid?
2-[(2,6-dichlorophenyl)methylcarbamoylamino]acetic acid has a molecular weight of 277.11 g/mol, XLogP of 1.88, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dichlorophenyl)methylcarbamoylamino]acetic acid is sourced from PubChem (CID 28880664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).