2-[2-(2-chlorophenoxy)propanoyl-(cyclopropylmethyl)amino]acetic acid

C15H18ClNO4 — CID 43655313

IUPAC2-[2-(2-chlorophenoxy)propanoyl-(cyclopropylmethyl)amino]acetic acid
SMILESCC(Oc1ccccc1Cl)C(=O)N(CC(=O)O)CC1CC1
InChIInChI=1S/C15H18ClNO4/c1-10(21-13-5-3-2-4-12(13)16)15(20)17(9-14(18)19)8-11-6-7-11/h2-5,10-11H,6-9H2,1H3,(H,18,19)
InChIKeyIMNNCGJCKVAGRR-UHFFFAOYSA-N
MW311.76 g/mol
LogP2.43
Rot. Bonds7

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

2-[2-(2-chlorophenoxy)propanoyl-(cyclopropylmethyl)amino]acetic acid (PubChem CID 43655313) has the molecular formula C15H18ClNO4 and a molecular weight of 311.76 g/mol. Its IUPAC name is 2-[2-(2-chlorophenoxy)propanoyl-(cyclopropylmethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[2-(2-chlorophenoxy)propanoyl-(cyclopropylmethyl)amino]acetic acid
PubChem CID43655313
Molecular FormulaC15H18ClNO4
Molecular Weight311.76 g/mol
Exact Mass311.09
IUPAC Name2-[2-(2-chlorophenoxy)propanoyl-(cyclopropylmethyl)amino]acetic acid
SMILESCC(Oc1ccccc1Cl)C(=O)N(CC(=O)O)CC1CC1
InChIInChI=1S/C15H18ClNO4/c1-10(21-13-5-3-2-4-12(13)16)15(20)17(9-14(18)19)8-11-6-7-11/h2-5,10-11H,6-9H2,1H3,(H,18,19)
InChIKeyIMNNCGJCKVAGRR-UHFFFAOYSA-N
XLogP2.43
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 ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chlorophenoxy)-N-ethyl-N-(2-methylprop-2-enyl)propanamide
CID 134037927
3-[2-(2-chlorophenoxy)propanoyl-methylamino]propanoic acid
CID 60989868
2-[cyclopropylmethyl-(2,3-dichlorobenzoyl)amino]acetic acid
CID 43655107
2-[cyclopropylmethyl-(2-methoxybenzoyl)amino]acetic acid
CID 43655299
4-[2-(2-chlorophenoxy)propanoyl-methylamino]butanoic acid
CID 43359977
2-(2-chlorophenoxy)-N-cyclobutyl-N-(3-hydroxypropyl)propanamide
CID 102866620
2-[[(2S)-2-amino-2-phenylacetyl]-(cyclopropylmethyl)amino]acetic acid
CID 103869512
2-[1-[2-(2-chlorophenoxy)propanoyl]azetidin-3-yl]acetic acid
CID 64605835
2-[(3-amino-2-phenylpropanoyl)-(cyclopropylmethyl)amino]acetic acid
CID 62878549
3-[[(2R)-2-(2-chlorophenoxy)propanoyl]-[(2,3-difluorophenyl)methyl]amino]propanoic acid
CID 124693217
2-[2-(2-bromophenoxy)propanoyl-propylamino]acetic acid
CID 119205657
2-[(2-chlorophenyl)methylcarbamoyl-(cyclopropylmethyl)amino]acetic acid
CID 43655962

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-chlorophenoxy)propanoyl-(cyclopropylmethyl)amino]acetic acid?
The IUPAC name of 2-[2-(2-chlorophenoxy)propanoyl-(cyclopropylmethyl)amino]acetic acid (CID 43655313) is 2-[2-(2-chlorophenoxy)propanoyl-(cyclopropylmethyl)amino]acetic acid.
What is the SMILES notation for 2-[2-(2-chlorophenoxy)propanoyl-(cyclopropylmethyl)amino]acetic acid?
The canonical SMILES for 2-[2-(2-chlorophenoxy)propanoyl-(cyclopropylmethyl)amino]acetic acid is CC(Oc1ccccc1Cl)C(=O)N(CC(=O)O)CC1CC1.
What is the InChIKey of 2-[2-(2-chlorophenoxy)propanoyl-(cyclopropylmethyl)amino]acetic acid?
The InChIKey is IMNNCGJCKVAGRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO4/c1-10(21-13-5-3-2-4-12(13)16)15(20)17(9-14(18)19)8-11-6-7-11/h2-5,10-11H,6-9H2,1H3,(H,18,19).
What are the key properties of 2-[2-(2-chlorophenoxy)propanoyl-(cyclopropylmethyl)amino]acetic acid?
2-[2-(2-chlorophenoxy)propanoyl-(cyclopropylmethyl)amino]acetic acid has a molecular weight of 311.76 g/mol, XLogP of 2.43, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-chlorophenoxy)propanoyl-(cyclopropylmethyl)amino]acetic acid is sourced from PubChem (CID 43655313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).