2-[2-(3-chlorophenoxy)propanoyl-(2-methylpropyl)amino]acetic acid

C15H20ClNO4 — CID 62034436

IUPAC2-[2-(3-chlorophenoxy)propanoyl-(2-methylpropyl)amino]acetic acid
SMILESCC(C)CN(CC(=O)O)C(=O)C(C)Oc1cccc(Cl)c1
InChIInChI=1S/C15H20ClNO4/c1-10(2)8-17(9-14(18)19)15(20)11(3)21-13-6-4-5-12(16)7-13/h4-7,10-11H,8-9H2,1-3H3,(H,18,19)
InChIKeyKNXQGDWAVPUAST-UHFFFAOYSA-N
MW313.78 g/mol
LogP2.68
Rot. Bonds7

About 2-[2-(3-chlorophenoxy)propanoyl-(2-methylpropyl)amino]acetic acid

2-[2-(3-chlorophenoxy)propanoyl-(2-methylpropyl)amino]acetic acid (PubChem CID 62034436) has the molecular formula C15H20ClNO4 and a molecular weight of 313.78 g/mol. Its IUPAC name is 2-[2-(3-chlorophenoxy)propanoyl-(2-methylpropyl)amino]acetic acid.

Molecular Properties

Compound Name2-[2-(3-chlorophenoxy)propanoyl-(2-methylpropyl)amino]acetic acid
PubChem CID62034436
Molecular FormulaC15H20ClNO4
Molecular Weight313.78 g/mol
Exact Mass313.11
IUPAC Name2-[2-(3-chlorophenoxy)propanoyl-(2-methylpropyl)amino]acetic acid
SMILESCC(C)CN(CC(=O)O)C(=O)C(C)Oc1cccc(Cl)c1
InChIInChI=1S/C15H20ClNO4/c1-10(2)8-17(9-14(18)19)15(20)11(3)21-13-6-4-5-12(16)7-13/h4-7,10-11H,8-9H2,1-3H3,(H,18,19)
InChIKeyKNXQGDWAVPUAST-UHFFFAOYSA-N
XLogP2.68
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.78
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(3-chlorophenoxy)-N,N-bis(2-methylpropyl)propanamide
CID 897565
2-(3-chlorophenoxy)-N-methyl-N-(2-methylpropyl)propanamide
CID 134058549
(2S)-2-(3-chlorophenoxy)-N,N-diethylpropanamide
CID 40538344
2-[ethyl-[2-(3-propan-2-ylphenoxy)propanoyl]amino]acetic acid
CID 119206542
(3R)-3-(3-chlorophenoxy)butan-2-one
CID 1489403
N-(2-chloroethyl)-2-(3-chlorophenoxy)-N-methylpropanamide
CID 63391336
(2R)-2-(3-chlorophenoxy)-N-[2-[[(2R)-2-(3-chlorophenoxy)propanoyl]amino]ethyl]propanamide
CID 2165550
(2S)-2-(3-chlorophenoxy)-N-(2-methylpropyl)propanamide
CID 966270
(E,4R)-4-(3-chlorophenoxy)-1-(dimethylamino)pent-1-en-3-one
CID 1489413
(2S)-2-(3-chlorophenoxy)-N-pentan-3-ylpropanamide
CID 94087042
2-[2-(3-chlorophenoxy)ethyl-propan-2-ylamino]acetic acid
CID 60838792
(2R)-2-(3-chlorophenoxy)-N-[(2S)-1-ethylsulfonylpropan-2-yl]-N-methylpropanamide
CID 96533228

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-chlorophenoxy)propanoyl-(2-methylpropyl)amino]acetic acid?
The IUPAC name of 2-[2-(3-chlorophenoxy)propanoyl-(2-methylpropyl)amino]acetic acid (CID 62034436) is 2-[2-(3-chlorophenoxy)propanoyl-(2-methylpropyl)amino]acetic acid.
What is the SMILES notation for 2-[2-(3-chlorophenoxy)propanoyl-(2-methylpropyl)amino]acetic acid?
The canonical SMILES for 2-[2-(3-chlorophenoxy)propanoyl-(2-methylpropyl)amino]acetic acid is CC(C)CN(CC(=O)O)C(=O)C(C)Oc1cccc(Cl)c1.
What is the InChIKey of 2-[2-(3-chlorophenoxy)propanoyl-(2-methylpropyl)amino]acetic acid?
The InChIKey is KNXQGDWAVPUAST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO4/c1-10(2)8-17(9-14(18)19)15(20)11(3)21-13-6-4-5-12(16)7-13/h4-7,10-11H,8-9H2,1-3H3,(H,18,19).
What are the key properties of 2-[2-(3-chlorophenoxy)propanoyl-(2-methylpropyl)amino]acetic acid?
2-[2-(3-chlorophenoxy)propanoyl-(2-methylpropyl)amino]acetic acid has a molecular weight of 313.78 g/mol, XLogP of 2.68, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-chlorophenoxy)propanoyl-(2-methylpropyl)amino]acetic acid is sourced from PubChem (CID 62034436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).