2-[2-[3-(cyclopropylamino)-3-oxopropoxy]phenyl]acetic acid

C14H17NO4 — CID 80740402

IUPAC2-[2-[3-(cyclopropylamino)-3-oxopropoxy]phenyl]acetic acid
SMILESO=C(O)Cc1ccccc1OCCC(=O)NC1CC1
InChIInChI=1S/C14H17NO4/c16-13(15-11-5-6-11)7-8-19-12-4-2-1-3-10(12)9-14(17)18/h1-4,11H,5-9H2,(H,15,16)(H,17,18)
InChIKeyGRKIAAISQCHHAC-UHFFFAOYSA-N
MW263.29 g/mol
LogP1.36
Rot. Bonds7

About 2-[2-[3-(cyclopropylamino)-3-oxopropoxy]phenyl]acetic acid

2-[2-[3-(cyclopropylamino)-3-oxopropoxy]phenyl]acetic acid (PubChem CID 80740402) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is 2-[2-[3-(cyclopropylamino)-3-oxopropoxy]phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-[3-(cyclopropylamino)-3-oxopropoxy]phenyl]acetic acid
PubChem CID80740402
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Name2-[2-[3-(cyclopropylamino)-3-oxopropoxy]phenyl]acetic acid
SMILESO=C(O)Cc1ccccc1OCCC(=O)NC1CC1
InChIInChI=1S/C14H17NO4/c16-13(15-11-5-6-11)7-8-19-12-4-2-1-3-10(12)9-14(17)18/h1-4,11H,5-9H2,(H,15,16)(H,17,18)
InChIKeyGRKIAAISQCHHAC-UHFFFAOYSA-N
XLogP1.36
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-aminophenoxy)-N-cyclohexylpropanamide
CID 54915855
N-(4-aminocyclohexyl)-3-(2-phenylphenoxy)propanamide;hydrochloride
CID 119477516
3-(2,3-dimethylphenoxy)-N-(4-hydroxycyclohexyl)propanamide
CID 43417399
N-cyclopropyl-3-[2-ethoxy-6-(hydroxymethyl)phenoxy]propanamide
CID 62626670
N-cyclopentyl-3-(2,3-dimethylphenoxy)propanamide
CID 60737583
3-[4-chloro-2-[(cyclopropylamino)methyl]phenoxy]-N-cyclopropylpropanamide
CID 62626106
3-(2-bromophenoxy)-N-piperidin-4-ylpropanamide;hydrochloride
CID 119385928
(E)-3-[2-chloro-6-[3-(cyclopropylamino)-3-oxopropoxy]phenyl]prop-2-enoic acid
CID 114321206
N-cyclopropyl-2-phenylacetamide
CID 5175687
4-[[2-(2-methoxyphenyl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 60809174
N-cyclopentyl-4-(2-ethoxyphenoxy)butanamide
CID 78781833
N-cyclopropyl-2-[2-(methylaminomethyl)phenoxy]acetamide
CID 43277196

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-(cyclopropylamino)-3-oxopropoxy]phenyl]acetic acid?
The IUPAC name of 2-[2-[3-(cyclopropylamino)-3-oxopropoxy]phenyl]acetic acid (CID 80740402) is 2-[2-[3-(cyclopropylamino)-3-oxopropoxy]phenyl]acetic acid.
What is the SMILES notation for 2-[2-[3-(cyclopropylamino)-3-oxopropoxy]phenyl]acetic acid?
The canonical SMILES for 2-[2-[3-(cyclopropylamino)-3-oxopropoxy]phenyl]acetic acid is O=C(O)Cc1ccccc1OCCC(=O)NC1CC1.
What is the InChIKey of 2-[2-[3-(cyclopropylamino)-3-oxopropoxy]phenyl]acetic acid?
The InChIKey is GRKIAAISQCHHAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4/c16-13(15-11-5-6-11)7-8-19-12-4-2-1-3-10(12)9-14(17)18/h1-4,11H,5-9H2,(H,15,16)(H,17,18).
What are the key properties of 2-[2-[3-(cyclopropylamino)-3-oxopropoxy]phenyl]acetic acid?
2-[2-[3-(cyclopropylamino)-3-oxopropoxy]phenyl]acetic acid has a molecular weight of 263.29 g/mol, XLogP of 1.36, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-(cyclopropylamino)-3-oxopropoxy]phenyl]acetic acid is sourced from PubChem (CID 80740402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).