2-[[4-(cyclopropylmethoxy)benzoyl]amino]acetic acid

C13H15NO4 — CID 66812671

IUPAC2-[[4-(cyclopropylmethoxy)benzoyl]amino]acetic acid
SMILESO=C(O)CNC(=O)c1ccc(OCC2CC2)cc1
InChIInChI=1S/C13H15NO4/c15-12(16)7-14-13(17)10-3-5-11(6-4-10)18-8-9-1-2-9/h3-6,9H,1-2,7-8H2,(H,14,17)(H,15,16)
InChIKeyMHSNFEIQNCCZEC-UHFFFAOYSA-N
MW249.27 g/mol
LogP1.29
Rot. Bonds6

About 2-[[4-(cyclopropylmethoxy)benzoyl]amino]acetic acid

2-[[4-(cyclopropylmethoxy)benzoyl]amino]acetic acid (PubChem CID 66812671) has the molecular formula C13H15NO4 and a molecular weight of 249.27 g/mol. Its IUPAC name is 2-[[4-(cyclopropylmethoxy)benzoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[4-(cyclopropylmethoxy)benzoyl]amino]acetic acid
PubChem CID66812671
Molecular FormulaC13H15NO4
Molecular Weight249.27 g/mol
Exact Mass249.10
IUPAC Name2-[[4-(cyclopropylmethoxy)benzoyl]amino]acetic acid
SMILESO=C(O)CNC(=O)c1ccc(OCC2CC2)cc1
InChIInChI=1S/C13H15NO4/c15-12(16)7-14-13(17)10-3-5-11(6-4-10)18-8-9-1-2-9/h3-6,9H,1-2,7-8H2,(H,14,17)(H,15,16)
InChIKeyMHSNFEIQNCCZEC-UHFFFAOYSA-N
XLogP1.29
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(cyclopropylmethoxy)-N-ethylbenzamide
CID 60572461
[[4-(cyclopentylmethoxy)benzoyl]amino]methanesulfinic acid
CID 174758918
N-(3-anilinopropyl)-4-(cyclopropylmethoxy)benzamide
CID 56541657
4-(cyclopropylmethoxy)-N-(3-hydroxy-4-methylpentyl)benzamide
CID 111461405
4-(cyclopropylmethoxy)-N-[2-[(R)-phenylsulfinyl]ethyl]benzamide
CID 95618513
4-(cyclopropylmethoxy)-N-ethoxybenzamide
CID 60572474
2-[[4-(cyclopropylmethoxy)benzoyl]amino]butanoic acid
CID 119223456
cis-(1R,3S)-3-[[4-(cyclopropylmethoxy)benzoyl]amino]cyclopentane-1-carboxylic acid
CID 120679122
N-[[4-[(4-methoxyphenoxy)methyl]cyclohexyl]methyl]-4-phenylmethoxybenzamide
CID 58923644
4-(cyclopropylmethoxy)-N-[(2R)-2-(ethylamino)propyl]benzamide;hydrochloride
CID 120654846
4-[[4-(cyclopropylmethoxy)benzoyl]amino]benzamide
CID 60571619
4-[[4-(methoxymethyl)cyclohexyl]methoxy]benzoic acid
CID 71350280

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(cyclopropylmethoxy)benzoyl]amino]acetic acid?
The IUPAC name of 2-[[4-(cyclopropylmethoxy)benzoyl]amino]acetic acid (CID 66812671) is 2-[[4-(cyclopropylmethoxy)benzoyl]amino]acetic acid.
What is the SMILES notation for 2-[[4-(cyclopropylmethoxy)benzoyl]amino]acetic acid?
The canonical SMILES for 2-[[4-(cyclopropylmethoxy)benzoyl]amino]acetic acid is O=C(O)CNC(=O)c1ccc(OCC2CC2)cc1.
What is the InChIKey of 2-[[4-(cyclopropylmethoxy)benzoyl]amino]acetic acid?
The InChIKey is MHSNFEIQNCCZEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO4/c15-12(16)7-14-13(17)10-3-5-11(6-4-10)18-8-9-1-2-9/h3-6,9H,1-2,7-8H2,(H,14,17)(H,15,16).
What are the key properties of 2-[[4-(cyclopropylmethoxy)benzoyl]amino]acetic acid?
2-[[4-(cyclopropylmethoxy)benzoyl]amino]acetic acid has a molecular weight of 249.27 g/mol, XLogP of 1.29, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(cyclopropylmethoxy)benzoyl]amino]acetic acid is sourced from PubChem (CID 66812671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).