3-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-3-cyclopropylpropanoic acid

C15H18ClNO4 — CID 81368508

IUPAC3-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-3-cyclopropylpropanoic acid
SMILESCc1cc(Cl)ccc1OCC(=O)NC(CC(=O)O)C1CC1
InChIInChI=1S/C15H18ClNO4/c1-9-6-11(16)4-5-13(9)21-8-14(18)17-12(7-15(19)20)10-2-3-10/h4-6,10,12H,2-3,7-8H2,1H3,(H,17,18)(H,19,20)
InChIKeyLDMSJLQYTOHGKB-UHFFFAOYSA-N
MW311.76 g/mol
LogP2.40
Rot. Bonds7

About 3-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-3-cyclopropylpropanoic acid

3-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-3-cyclopropylpropanoic acid (PubChem CID 81368508) has the molecular formula C15H18ClNO4 and a molecular weight of 311.76 g/mol. Its IUPAC name is 3-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-3-cyclopropylpropanoic acid.

Molecular Properties

Compound Name3-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-3-cyclopropylpropanoic acid
PubChem CID81368508
Molecular FormulaC15H18ClNO4
Molecular Weight311.76 g/mol
Exact Mass311.09
IUPAC Name3-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-3-cyclopropylpropanoic acid
SMILESCc1cc(Cl)ccc1OCC(=O)NC(CC(=O)O)C1CC1
InChIInChI=1S/C15H18ClNO4/c1-9-6-11(16)4-5-13(9)21-8-14(18)17-12(7-15(19)20)10-2-3-10/h4-6,10,12H,2-3,7-8H2,1H3,(H,17,18)(H,19,20)
InChIKeyLDMSJLQYTOHGKB-UHFFFAOYSA-N
XLogP2.40
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.76
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-3-cyclopropylpropanoic acid with MolForge

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Related Compounds

(2S)-2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]butanedioic acid
CID 112732976
2-(4-chloro-2-methylphenoxy)-N-[1-(3-hydroxycyclobutyl)propyl]acetamide
CID 91764048
2-(4-chloro-2-methylphenoxy)-N-pentan-3-ylacetamide
CID 112779196
2-(4-chloro-2-methylphenoxy)-N-[cyclopropyl-(4-methoxyphenyl)methyl]acetamide
CID 55461093
N-butan-2-yl-2-(4-chloro-2-methylphenoxy)acetamide
CID 3558028
(2R)-2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-4-hydroxybutanoic acid
CID 107822760
2-(4-chloro-2-methylphenoxy)-N-[(3S,4R)-3,4-dihydroxycyclopentyl]acetamide
CID 166269611
methyl 2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-3-methylbutanoate
CID 43404158
N-[(1R)-1-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(4-chloro-2-methylphenoxy)acetamide
CID 897091
2-(4-chloro-2-methylphenoxy)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)acetamide
CID 103801467
(2R)-2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-4-methylsulfanylbutanoic acid
CID 9157568
2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-N-propan-2-ylacetamide
CID 9299910

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-3-cyclopropylpropanoic acid?
The IUPAC name of 3-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-3-cyclopropylpropanoic acid (CID 81368508) is 3-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-3-cyclopropylpropanoic acid.
What is the SMILES notation for 3-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-3-cyclopropylpropanoic acid?
The canonical SMILES for 3-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-3-cyclopropylpropanoic acid is Cc1cc(Cl)ccc1OCC(=O)NC(CC(=O)O)C1CC1.
What is the InChIKey of 3-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-3-cyclopropylpropanoic acid?
The InChIKey is LDMSJLQYTOHGKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO4/c1-9-6-11(16)4-5-13(9)21-8-14(18)17-12(7-15(19)20)10-2-3-10/h4-6,10,12H,2-3,7-8H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 3-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-3-cyclopropylpropanoic acid?
3-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-3-cyclopropylpropanoic acid has a molecular weight of 311.76 g/mol, XLogP of 2.40, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-3-cyclopropylpropanoic acid is sourced from PubChem (CID 81368508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).