2-[2-[[2-(cyclopropylmethoxy)acetyl]amino]phenyl]acetic acid

C14H17NO4 — CID 119218359

IUPAC2-[2-[[2-(cyclopropylmethoxy)acetyl]amino]phenyl]acetic acid
SMILESO=C(O)Cc1ccccc1NC(=O)COCC1CC1
InChIInChI=1S/C14H17NO4/c16-13(9-19-8-10-5-6-10)15-12-4-2-1-3-11(12)7-14(17)18/h1-4,10H,5-9H2,(H,15,16)(H,17,18)
InChIKeyPHKPUULAHUGQNO-UHFFFAOYSA-N
MW263.29 g/mol
LogP1.68
Rot. Bonds7

About 2-[2-[[2-(cyclopropylmethoxy)acetyl]amino]phenyl]acetic acid

2-[2-[[2-(cyclopropylmethoxy)acetyl]amino]phenyl]acetic acid (PubChem CID 119218359) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is 2-[2-[[2-(cyclopropylmethoxy)acetyl]amino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-[[2-(cyclopropylmethoxy)acetyl]amino]phenyl]acetic acid
PubChem CID119218359
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Name2-[2-[[2-(cyclopropylmethoxy)acetyl]amino]phenyl]acetic acid
SMILESO=C(O)Cc1ccccc1NC(=O)COCC1CC1
InChIInChI=1S/C14H17NO4/c16-13(9-19-8-10-5-6-10)15-12-4-2-1-3-11(12)7-14(17)18/h1-4,10H,5-9H2,(H,15,16)(H,17,18)
InChIKeyPHKPUULAHUGQNO-UHFFFAOYSA-N
XLogP1.68
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 ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methylphenyl)-2-(piperidin-4-ylmethoxy)acetamide
CID 39062948
2-[2-[[2-(3-methylcyclohexyl)acetyl]amino]phenyl]acetic acid
CID 119218559
N-[2-(chloromethyl)phenyl]-2-cyclopropylacetamide
CID 114298279
N-[2-(aminomethyl)phenyl]-2-(oxolan-2-ylmethoxy)acetamide
CID 18069772
N-(2-cyanophenyl)-2-(oxan-4-ylmethoxy)acetamide
CID 62382807
N-(2-methoxyphenyl)-2-(piperidin-4-ylmethoxy)acetamide
CID 39062990
2-(cyclopropylmethoxy)-N-(4-oxo-1H-pyridin-3-yl)acetamide
CID 51087154
2-[2-[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]phenyl]acetic acid
CID 119218358
2-(cyclopropylmethoxy)-N-quinolin-2-ylacetamide
CID 51081116
2-[2-(3-methoxypropanoylamino)phenyl]acetic acid
CID 55091248
N-[2-[(dimethylamino)methyl]phenyl]-2-ethoxyacetamide
CID 60763631
2-(cyclopropylmethoxy)-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 51080949

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[2-(cyclopropylmethoxy)acetyl]amino]phenyl]acetic acid?
The IUPAC name of 2-[2-[[2-(cyclopropylmethoxy)acetyl]amino]phenyl]acetic acid (CID 119218359) is 2-[2-[[2-(cyclopropylmethoxy)acetyl]amino]phenyl]acetic acid.
What is the SMILES notation for 2-[2-[[2-(cyclopropylmethoxy)acetyl]amino]phenyl]acetic acid?
The canonical SMILES for 2-[2-[[2-(cyclopropylmethoxy)acetyl]amino]phenyl]acetic acid is O=C(O)Cc1ccccc1NC(=O)COCC1CC1.
What is the InChIKey of 2-[2-[[2-(cyclopropylmethoxy)acetyl]amino]phenyl]acetic acid?
The InChIKey is PHKPUULAHUGQNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4/c16-13(9-19-8-10-5-6-10)15-12-4-2-1-3-11(12)7-14(17)18/h1-4,10H,5-9H2,(H,15,16)(H,17,18).
What are the key properties of 2-[2-[[2-(cyclopropylmethoxy)acetyl]amino]phenyl]acetic acid?
2-[2-[[2-(cyclopropylmethoxy)acetyl]amino]phenyl]acetic acid has a molecular weight of 263.29 g/mol, XLogP of 1.68, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[2-(cyclopropylmethoxy)acetyl]amino]phenyl]acetic acid is sourced from PubChem (CID 119218359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).