2-[2-(carbamoylamino)-4-chlorophenoxy]propanoic acid

C10H11ClN2O4 — CID 67538273

IUPAC2-[2-(carbamoylamino)-4-chlorophenoxy]propanoic acid
SMILESCC(Oc1ccc(Cl)cc1NC(N)=O)C(=O)O
InChIInChI=1S/C10H11ClN2O4/c1-5(9(14)15)17-8-3-2-6(11)4-7(8)13-10(12)16/h2-5H,1H3,(H,14,15)(H3,12,13,16)
InChIKeyBTFQQQTUHOSGJK-UHFFFAOYSA-N
MW258.66 g/mol
LogP1.68
Rot. Bonds4

About 2-[2-(carbamoylamino)-4-chlorophenoxy]propanoic acid

2-[2-(carbamoylamino)-4-chlorophenoxy]propanoic acid (PubChem CID 67538273) has the molecular formula C10H11ClN2O4 and a molecular weight of 258.66 g/mol. Its IUPAC name is 2-[2-(carbamoylamino)-4-chlorophenoxy]propanoic acid.

Molecular Properties

Compound Name2-[2-(carbamoylamino)-4-chlorophenoxy]propanoic acid
PubChem CID67538273
Molecular FormulaC10H11ClN2O4
Molecular Weight258.66 g/mol
Exact Mass258.04
IUPAC Name2-[2-(carbamoylamino)-4-chlorophenoxy]propanoic acid
SMILESCC(Oc1ccc(Cl)cc1NC(N)=O)C(=O)O
InChIInChI=1S/C10H11ClN2O4/c1-5(9(14)15)17-8-3-2-6(11)4-7(8)13-10(12)16/h2-5H,1H3,(H,14,15)(H3,12,13,16)
InChIKeyBTFQQQTUHOSGJK-UHFFFAOYSA-N
XLogP1.68
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.66
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-dichlorophenoxy)propanoic acid
CID 8427
azane;2-(2,4-dichlorophenoxy)propanoic acid
CID 173303839
2-[2-(carbamoylamino)-4-chlorophenoxy]acetamide
CID 141161863
azane;2-(4-chloro-2-methylphenoxy)propanoic acid
CID 13376687
(2S)-2-(2,5-dichlorophenoxy)propanoic acid
CID 41097405
potassium;2-(4-chloro-2-methylphenoxy)propanoic acid;hydride
CID 173089242
(2R)-2-[5-chloro-2-(2,4-dichlorophenoxy)phenoxy]propanoic acid
CID 124566804
(2S)-2-amino-N-(5-chloro-2-methoxyphenyl)propanamide;hydrochloride
CID 119262144
3-(5-chloro-2-methoxyanilino)-2-methyl-3-oxopropanoic acid
CID 83550581
(2S)-2-(4-chloro-2-cyclopropylphenoxy)propanoic acid
CID 138686156
2-(2-acetamido-4-chlorophenoxy)acetic acid
CID 59772130
(2S)-2-(4-acetamido-2-chlorophenoxy)propanoic acid
CID 67926622

Frequently Asked Questions

What is the IUPAC name of 2-[2-(carbamoylamino)-4-chlorophenoxy]propanoic acid?
The IUPAC name of 2-[2-(carbamoylamino)-4-chlorophenoxy]propanoic acid (CID 67538273) is 2-[2-(carbamoylamino)-4-chlorophenoxy]propanoic acid.
What is the SMILES notation for 2-[2-(carbamoylamino)-4-chlorophenoxy]propanoic acid?
The canonical SMILES for 2-[2-(carbamoylamino)-4-chlorophenoxy]propanoic acid is CC(Oc1ccc(Cl)cc1NC(N)=O)C(=O)O.
What is the InChIKey of 2-[2-(carbamoylamino)-4-chlorophenoxy]propanoic acid?
The InChIKey is BTFQQQTUHOSGJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O4/c1-5(9(14)15)17-8-3-2-6(11)4-7(8)13-10(12)16/h2-5H,1H3,(H,14,15)(H3,12,13,16).
What are the key properties of 2-[2-(carbamoylamino)-4-chlorophenoxy]propanoic acid?
2-[2-(carbamoylamino)-4-chlorophenoxy]propanoic acid has a molecular weight of 258.66 g/mol, XLogP of 1.68, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(carbamoylamino)-4-chlorophenoxy]propanoic acid is sourced from PubChem (CID 67538273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).