2-[[2-(2-chloro-5-methylphenoxy)acetyl]-(cyclopropylmethyl)amino]acetic acid

C15H18ClNO4 — CID 43655334

IUPAC2-[[2-(2-chloro-5-methylphenoxy)acetyl]-(cyclopropylmethyl)amino]acetic acid
SMILESCc1ccc(Cl)c(OCC(=O)N(CC(=O)O)CC2CC2)c1
InChIInChI=1S/C15H18ClNO4/c1-10-2-5-12(16)13(6-10)21-9-14(18)17(8-15(19)20)7-11-3-4-11/h2,5-6,11H,3-4,7-9H2,1H3,(H,19,20)
InChIKeyYBUVDTRFFBBSKR-UHFFFAOYSA-N
MW311.76 g/mol
LogP2.35
Rot. Bonds7

About 2-[[2-(2-chloro-5-methylphenoxy)acetyl]-(cyclopropylmethyl)amino]acetic acid

2-[[2-(2-chloro-5-methylphenoxy)acetyl]-(cyclopropylmethyl)amino]acetic acid (PubChem CID 43655334) has the molecular formula C15H18ClNO4 and a molecular weight of 311.76 g/mol. Its IUPAC name is 2-[[2-(2-chloro-5-methylphenoxy)acetyl]-(cyclopropylmethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[[2-(2-chloro-5-methylphenoxy)acetyl]-(cyclopropylmethyl)amino]acetic acid
PubChem CID43655334
Molecular FormulaC15H18ClNO4
Molecular Weight311.76 g/mol
Exact Mass311.09
IUPAC Name2-[[2-(2-chloro-5-methylphenoxy)acetyl]-(cyclopropylmethyl)amino]acetic acid
SMILESCc1ccc(Cl)c(OCC(=O)N(CC(=O)O)CC2CC2)c1
InChIInChI=1S/C15H18ClNO4/c1-10-2-5-12(16)13(6-10)21-9-14(18)17(8-15(19)20)7-11-3-4-11/h2,5-6,11H,3-4,7-9H2,1H3,(H,19,20)
InChIKeyYBUVDTRFFBBSKR-UHFFFAOYSA-N
XLogP2.35
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.76
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclopropylmethyl-[2-(2,6-dimethylphenoxy)acetyl]amino]acetic acid
CID 43655320
2-[(2-chloro-4-methylbenzoyl)-(cyclopropylmethyl)amino]acetic acid
CID 106860492
2-[cyclopropylmethyl-[2-(2-fluorophenoxy)acetyl]amino]acetic acid
CID 43655608
3-[[2-(2-chloro-5-methylphenoxy)acetyl]-ethylamino]-2-methylpropanoic acid
CID 62826476
2-[(2-amino-2-oxoethyl)-[2-(2,5-dimethylphenoxy)acetyl]amino]acetic acid
CID 107434278
2-[carboxymethyl-[2-(2,4-dichlorophenoxy)acetyl]amino]acetic acid
CID 63645389
2-[propyl-[2-(2,4,5-trichlorophenoxy)acetyl]amino]acetic acid
CID 61013284
2-[tert-butyl-[2-(2,5-dimethylphenoxy)acetyl]amino]acetic acid
CID 79265320
2-[[2-(2,5-dichlorophenoxy)acetyl]-prop-2-ynylamino]acetic acid
CID 79274065
2-[cyclopropylmethyl-[(2,4-dimethylphenyl)carbamoyl]amino]acetic acid
CID 43655679
2-(2-chloro-5-methylphenoxy)-N-methyl-N-[(2-methylphenyl)methyl]acetamide
CID 112775470
2-(2-chloro-5-methylphenoxy)-1-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]ethanone
CID 79403512

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-chloro-5-methylphenoxy)acetyl]-(cyclopropylmethyl)amino]acetic acid?
The IUPAC name of 2-[[2-(2-chloro-5-methylphenoxy)acetyl]-(cyclopropylmethyl)amino]acetic acid (CID 43655334) is 2-[[2-(2-chloro-5-methylphenoxy)acetyl]-(cyclopropylmethyl)amino]acetic acid.
What is the SMILES notation for 2-[[2-(2-chloro-5-methylphenoxy)acetyl]-(cyclopropylmethyl)amino]acetic acid?
The canonical SMILES for 2-[[2-(2-chloro-5-methylphenoxy)acetyl]-(cyclopropylmethyl)amino]acetic acid is Cc1ccc(Cl)c(OCC(=O)N(CC(=O)O)CC2CC2)c1.
What is the InChIKey of 2-[[2-(2-chloro-5-methylphenoxy)acetyl]-(cyclopropylmethyl)amino]acetic acid?
The InChIKey is YBUVDTRFFBBSKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO4/c1-10-2-5-12(16)13(6-10)21-9-14(18)17(8-15(19)20)7-11-3-4-11/h2,5-6,11H,3-4,7-9H2,1H3,(H,19,20).
What are the key properties of 2-[[2-(2-chloro-5-methylphenoxy)acetyl]-(cyclopropylmethyl)amino]acetic acid?
2-[[2-(2-chloro-5-methylphenoxy)acetyl]-(cyclopropylmethyl)amino]acetic acid has a molecular weight of 311.76 g/mol, XLogP of 2.35, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-chloro-5-methylphenoxy)acetyl]-(cyclopropylmethyl)amino]acetic acid is sourced from PubChem (CID 43655334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).