2-[3-[cyclopropylmethyl(ethyl)carbamoyl]phenyl]acetic acid

C15H19NO3 — CID 136546895

IUPAC2-[3-[cyclopropylmethyl(ethyl)carbamoyl]phenyl]acetic acid
SMILESCCN(CC1CC1)C(=O)c1cccc(CC(=O)O)c1
InChIInChI=1S/C15H19NO3/c1-2-16(10-11-6-7-11)15(19)13-5-3-4-12(8-13)9-14(17)18/h3-5,8,11H,2,6-7,9-10H2,1H3,(H,17,18)
InChIKeyOLQROPJBNSXAJV-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.19
Rot. Bonds6

About 2-[3-[cyclopropylmethyl(ethyl)carbamoyl]phenyl]acetic acid

2-[3-[cyclopropylmethyl(ethyl)carbamoyl]phenyl]acetic acid (PubChem CID 136546895) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-[3-[cyclopropylmethyl(ethyl)carbamoyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-[cyclopropylmethyl(ethyl)carbamoyl]phenyl]acetic acid
PubChem CID136546895
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name2-[3-[cyclopropylmethyl(ethyl)carbamoyl]phenyl]acetic acid
SMILESCCN(CC1CC1)C(=O)c1cccc(CC(=O)O)c1
InChIInChI=1S/C15H19NO3/c1-2-16(10-11-6-7-11)15(19)13-5-3-4-12(8-13)9-14(17)18/h3-5,8,11H,2,6-7,9-10H2,1H3,(H,17,18)
InChIKeyOLQROPJBNSXAJV-UHFFFAOYSA-N
XLogP2.19
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-N-ethyl-3-N-(piperidin-4-ylmethyl)benzene-1,3-dicarboxamide
CID 79697262
N-(cyclopropylmethyl)-3-(3-hydroxy-3-methylbutyl)-N-propylbenzamide
CID 56884216
4-amino-N-(cyclopropylmethyl)-N-ethylbenzamide
CID 63956122
2-amino-N-(cyclopropylmethyl)-N-ethylpyridine-4-carboxamide
CID 63939345
N-(cyclopropylmethyl)-N-propyl-3-sulfanylbenzamide
CID 107024680
3-amino-4-bromo-N-(cyclopropylmethyl)-N-ethylbenzamide
CID 63954686
4-amino-N-(cyclopropylmethyl)-N-ethyl-3-fluorobenzamide
CID 63956728
3-amino-4-chloro-N-(cyclopropylmethyl)-N-ethylbenzamide
CID 63955717
3-[[[cyclopropylmethyl(propyl)carbamoyl]amino]methyl]benzoic acid
CID 61442889
3-[[[3-[[[3-[[[3-[[[3-[[[3-[[benzoyl(ethyl)amino]methyl]benzoyl]-ethylamino]methyl]benzoyl]-ethylamino]methyl]benzoyl]-ethylamino]methyl]benzoyl]-ethylamino]methyl]benzoyl]-ethylamino]methyl]benzoic acid
CID 56590718
N-(cyclopropylmethyl)-N-ethyl-3,4,5-trifluorobenzamide
CID 63954344
2-[ethyl-[3-(methylsulfanylmethyl)benzoyl]amino]acetic acid
CID 54901480

Frequently Asked Questions

What is the IUPAC name of 2-[3-[cyclopropylmethyl(ethyl)carbamoyl]phenyl]acetic acid?
The IUPAC name of 2-[3-[cyclopropylmethyl(ethyl)carbamoyl]phenyl]acetic acid (CID 136546895) is 2-[3-[cyclopropylmethyl(ethyl)carbamoyl]phenyl]acetic acid.
What is the SMILES notation for 2-[3-[cyclopropylmethyl(ethyl)carbamoyl]phenyl]acetic acid?
The canonical SMILES for 2-[3-[cyclopropylmethyl(ethyl)carbamoyl]phenyl]acetic acid is CCN(CC1CC1)C(=O)c1cccc(CC(=O)O)c1.
What is the InChIKey of 2-[3-[cyclopropylmethyl(ethyl)carbamoyl]phenyl]acetic acid?
The InChIKey is OLQROPJBNSXAJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-2-16(10-11-6-7-11)15(19)13-5-3-4-12(8-13)9-14(17)18/h3-5,8,11H,2,6-7,9-10H2,1H3,(H,17,18).
What are the key properties of 2-[3-[cyclopropylmethyl(ethyl)carbamoyl]phenyl]acetic acid?
2-[3-[cyclopropylmethyl(ethyl)carbamoyl]phenyl]acetic acid has a molecular weight of 261.32 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[cyclopropylmethyl(ethyl)carbamoyl]phenyl]acetic acid is sourced from PubChem (CID 136546895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).