2-[3-(3-chlorophenoxy)propanoylamino]-2-cyclopropylacetic acid

C14H16ClNO4 — CID 62696320

IUPAC2-[3-(3-chlorophenoxy)propanoylamino]-2-cyclopropylacetic acid
SMILESO=C(CCOc1cccc(Cl)c1)NC(C(=O)O)C1CC1
InChIInChI=1S/C14H16ClNO4/c15-10-2-1-3-11(8-10)20-7-6-12(17)16-13(14(18)19)9-4-5-9/h1-3,8-9,13H,4-7H2,(H,16,17)(H,18,19)
InChIKeyKCKOSFZMFJGQHG-UHFFFAOYSA-N
MW297.74 g/mol
LogP2.09
Rot. Bonds7

About 2-[3-(3-chlorophenoxy)propanoylamino]-2-cyclopropylacetic acid

2-[3-(3-chlorophenoxy)propanoylamino]-2-cyclopropylacetic acid (PubChem CID 62696320) has the molecular formula C14H16ClNO4 and a molecular weight of 297.74 g/mol. Its IUPAC name is 2-[3-(3-chlorophenoxy)propanoylamino]-2-cyclopropylacetic acid.

Molecular Properties

Compound Name2-[3-(3-chlorophenoxy)propanoylamino]-2-cyclopropylacetic acid
PubChem CID62696320
Molecular FormulaC14H16ClNO4
Molecular Weight297.74 g/mol
Exact Mass297.08
IUPAC Name2-[3-(3-chlorophenoxy)propanoylamino]-2-cyclopropylacetic acid
SMILESO=C(CCOc1cccc(Cl)c1)NC(C(=O)O)C1CC1
InChIInChI=1S/C14H16ClNO4/c15-10-2-1-3-11(8-10)20-7-6-12(17)16-13(14(18)19)9-4-5-9/h1-3,8-9,13H,4-7H2,(H,16,17)(H,18,19)
InChIKeyKCKOSFZMFJGQHG-UHFFFAOYSA-N
XLogP2.09
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.74
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-2-[3-(3,5-dimethylphenoxy)propanoylamino]acetic acid
CID 62695722
(2S)-2-[3-(3-chlorophenoxy)propanoylamino]pentanoic acid
CID 107564597
2-[3-(3-chlorophenoxy)propanoylamino]cyclopentane-1-carboxylic acid
CID 64814516
2-cyclopropyl-2-[[2-(2-phenoxyethoxy)acetyl]amino]acetic acid
CID 119213147
CID 131885829
CID 131885829
3-(3-chlorophenoxy)-N-(2,3-dihydroxypropyl)propanamide
CID 66177946
2-[4-(4-bromophenoxy)butanoylamino]-2-cyclopropylacetic acid
CID 62697266
2-[(3-chlorobenzoyl)amino]-2-cyclopropylacetic acid
CID 55108280
3-(3-aminophenoxy)-N-(1-cyclopropylethyl)propanamide
CID 61095016
(2R)-2-[[2-(3-chlorophenoxy)acetyl]amino]-3-hydroxypropanoic acid
CID 80750925
2-(3-chlorophenoxy)-1-cyclopropylethanol
CID 105105371
methyl 3-(3-chlorophenoxy)propanoate
CID 28940074

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-chlorophenoxy)propanoylamino]-2-cyclopropylacetic acid?
The IUPAC name of 2-[3-(3-chlorophenoxy)propanoylamino]-2-cyclopropylacetic acid (CID 62696320) is 2-[3-(3-chlorophenoxy)propanoylamino]-2-cyclopropylacetic acid.
What is the SMILES notation for 2-[3-(3-chlorophenoxy)propanoylamino]-2-cyclopropylacetic acid?
The canonical SMILES for 2-[3-(3-chlorophenoxy)propanoylamino]-2-cyclopropylacetic acid is O=C(CCOc1cccc(Cl)c1)NC(C(=O)O)C1CC1.
What is the InChIKey of 2-[3-(3-chlorophenoxy)propanoylamino]-2-cyclopropylacetic acid?
The InChIKey is KCKOSFZMFJGQHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO4/c15-10-2-1-3-11(8-10)20-7-6-12(17)16-13(14(18)19)9-4-5-9/h1-3,8-9,13H,4-7H2,(H,16,17)(H,18,19).
What are the key properties of 2-[3-(3-chlorophenoxy)propanoylamino]-2-cyclopropylacetic acid?
2-[3-(3-chlorophenoxy)propanoylamino]-2-cyclopropylacetic acid has a molecular weight of 297.74 g/mol, XLogP of 2.09, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-chlorophenoxy)propanoylamino]-2-cyclopropylacetic acid is sourced from PubChem (CID 62696320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).