2-[2-[(1-cyclopropylcyclopropyl)methylamino]-2-oxoethyl]benzoic acid

C16H19NO3 — CID 103932730

IUPAC2-[2-[(1-cyclopropylcyclopropyl)methylamino]-2-oxoethyl]benzoic acid
SMILESO=C(Cc1ccccc1C(=O)O)NCC1(C2CC2)CC1
InChIInChI=1S/C16H19NO3/c18-14(17-10-16(7-8-16)12-5-6-12)9-11-3-1-2-4-13(11)15(19)20/h1-4,12H,5-10H2,(H,17,18)(H,19,20)
InChIKeyGFBDFFVQUJXEQO-UHFFFAOYSA-N
MW273.33 g/mol
LogP2.23
Rot. Bonds6

About 2-[2-[(1-cyclopropylcyclopropyl)methylamino]-2-oxoethyl]benzoic acid

2-[2-[(1-cyclopropylcyclopropyl)methylamino]-2-oxoethyl]benzoic acid (PubChem CID 103932730) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is 2-[2-[(1-cyclopropylcyclopropyl)methylamino]-2-oxoethyl]benzoic acid.

Molecular Properties

Compound Name2-[2-[(1-cyclopropylcyclopropyl)methylamino]-2-oxoethyl]benzoic acid
PubChem CID103932730
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Name2-[2-[(1-cyclopropylcyclopropyl)methylamino]-2-oxoethyl]benzoic acid
SMILESO=C(Cc1ccccc1C(=O)O)NCC1(C2CC2)CC1
InChIInChI=1S/C16H19NO3/c18-14(17-10-16(7-8-16)12-5-6-12)9-11-3-1-2-4-13(11)15(19)20/h1-4,12H,5-10H2,(H,17,18)(H,19,20)
InChIKeyGFBDFFVQUJXEQO-UHFFFAOYSA-N
XLogP2.23
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1-cyclopropylcyclopropyl)methyl]-2-(3-hydroxyphenyl)acetamide
CID 103841045
2-[2-[2-(cyclopropanecarbonylamino)ethylamino]-2-oxoethyl]benzoic acid
CID 115923610
2-bromo-N-[(1-cyclopropylcyclopropyl)methyl]-3-fluorobenzamide
CID 114096122
5-[(1-cyclopropylcyclopropyl)methylcarbamoyl]thiophene-2-carboxylic acid
CID 113352947
methyl N-[2-[(1-cyclopropylcyclopropyl)methylcarbamoyl]phenyl]carbamate
CID 71910950
2-[2-(dicyclopropylmethylamino)-2-oxoethyl]benzoic acid
CID 115923634
2-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]benzoic acid
CID 104601328
2-[2-(2-acetamidoethylamino)-2-oxoethyl]benzoic acid
CID 112568591
2-[2-oxo-2-(prop-2-enylamino)ethyl]benzoic acid
CID 115923567
2-[2-[(2-methoxy-2-oxoethyl)amino]-2-oxoethyl]benzoic acid
CID 113431494
4-[(1-cyclopropylcyclopropyl)methylamino]-2,3-difluorobenzoic acid
CID 114096481
2-[2-(4-aminobutylamino)-2-oxoethyl]benzoic acid
CID 113431497

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(1-cyclopropylcyclopropyl)methylamino]-2-oxoethyl]benzoic acid?
The IUPAC name of 2-[2-[(1-cyclopropylcyclopropyl)methylamino]-2-oxoethyl]benzoic acid (CID 103932730) is 2-[2-[(1-cyclopropylcyclopropyl)methylamino]-2-oxoethyl]benzoic acid.
What is the SMILES notation for 2-[2-[(1-cyclopropylcyclopropyl)methylamino]-2-oxoethyl]benzoic acid?
The canonical SMILES for 2-[2-[(1-cyclopropylcyclopropyl)methylamino]-2-oxoethyl]benzoic acid is O=C(Cc1ccccc1C(=O)O)NCC1(C2CC2)CC1.
What is the InChIKey of 2-[2-[(1-cyclopropylcyclopropyl)methylamino]-2-oxoethyl]benzoic acid?
The InChIKey is GFBDFFVQUJXEQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c18-14(17-10-16(7-8-16)12-5-6-12)9-11-3-1-2-4-13(11)15(19)20/h1-4,12H,5-10H2,(H,17,18)(H,19,20).
What are the key properties of 2-[2-[(1-cyclopropylcyclopropyl)methylamino]-2-oxoethyl]benzoic acid?
2-[2-[(1-cyclopropylcyclopropyl)methylamino]-2-oxoethyl]benzoic acid has a molecular weight of 273.33 g/mol, XLogP of 2.23, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(1-cyclopropylcyclopropyl)methylamino]-2-oxoethyl]benzoic acid is sourced from PubChem (CID 103932730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).