2-[2-[(1-cyclopropylethylcarbamoylamino)methyl]phenyl]acetic acid

C15H20N2O3 — CID 81318367

IUPAC2-[2-[(1-cyclopropylethylcarbamoylamino)methyl]phenyl]acetic acid
SMILESCC(NC(=O)NCc1ccccc1CC(=O)O)C1CC1
InChIInChI=1S/C15H20N2O3/c1-10(11-6-7-11)17-15(20)16-9-13-5-3-2-4-12(13)8-14(18)19/h2-5,10-11H,6-9H2,1H3,(H,18,19)(H2,16,17,20)
InChIKeyBWGIUSSNMQPWPS-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.91
Rot. Bonds6

About 2-[2-[(1-cyclopropylethylcarbamoylamino)methyl]phenyl]acetic acid

2-[2-[(1-cyclopropylethylcarbamoylamino)methyl]phenyl]acetic acid (PubChem CID 81318367) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-[2-[(1-cyclopropylethylcarbamoylamino)methyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-[(1-cyclopropylethylcarbamoylamino)methyl]phenyl]acetic acid
PubChem CID81318367
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name2-[2-[(1-cyclopropylethylcarbamoylamino)methyl]phenyl]acetic acid
SMILESCC(NC(=O)NCc1ccccc1CC(=O)O)C1CC1
InChIInChI=1S/C15H20N2O3/c1-10(11-6-7-11)17-15(20)16-9-13-5-3-2-4-12(13)8-14(18)19/h2-5,10-11H,6-9H2,1H3,(H,18,19)(H2,16,17,20)
InChIKeyBWGIUSSNMQPWPS-UHFFFAOYSA-N
XLogP1.91
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-cyclopropylethyl)-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]urea
CID 134001880
2-[2-[(3,3-dimethylbutan-2-ylcarbamoylamino)methyl]phenyl]acetic acid
CID 104829175
1-[(1R)-1-(oxan-4-yl)ethyl]-3-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]urea
CID 99815147
1-(1-cyclopropylethyl)-3-(2-ethylphenyl)urea
CID 47133266
1-(1-cyclopropylethyl)-3-(thiophen-2-ylmethyl)urea
CID 47125498
2-[2-[(1-ethoxypropan-2-ylcarbamoylamino)methyl]phenyl]acetic acid
CID 81311152
2-[2-[(2-methylbutylcarbamoylamino)methyl]phenyl]acetic acid
CID 81317582
1-(1-cyclopropylethyl)-3-[[4-[(dimethylamino)methyl]phenyl]methyl]urea
CID 47221353
2-[2-[(2-aminopropanoylamino)methyl]phenyl]acetic acid
CID 81318490
N-[(1R)-1-cyclopropylethyl]-2,2-diphenylacetamide
CID 8855432
N-(1-cyclohexylethyl)-2-(2-hydroxyphenyl)acetamide
CID 79039260
(2S,3S)-2-[(2-ethylphenyl)methylcarbamoylamino]-3-methylpentanoic acid
CID 64696173

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(1-cyclopropylethylcarbamoylamino)methyl]phenyl]acetic acid?
The IUPAC name of 2-[2-[(1-cyclopropylethylcarbamoylamino)methyl]phenyl]acetic acid (CID 81318367) is 2-[2-[(1-cyclopropylethylcarbamoylamino)methyl]phenyl]acetic acid.
What is the SMILES notation for 2-[2-[(1-cyclopropylethylcarbamoylamino)methyl]phenyl]acetic acid?
The canonical SMILES for 2-[2-[(1-cyclopropylethylcarbamoylamino)methyl]phenyl]acetic acid is CC(NC(=O)NCc1ccccc1CC(=O)O)C1CC1.
What is the InChIKey of 2-[2-[(1-cyclopropylethylcarbamoylamino)methyl]phenyl]acetic acid?
The InChIKey is BWGIUSSNMQPWPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-10(11-6-7-11)17-15(20)16-9-13-5-3-2-4-12(13)8-14(18)19/h2-5,10-11H,6-9H2,1H3,(H,18,19)(H2,16,17,20).
What are the key properties of 2-[2-[(1-cyclopropylethylcarbamoylamino)methyl]phenyl]acetic acid?
2-[2-[(1-cyclopropylethylcarbamoylamino)methyl]phenyl]acetic acid has a molecular weight of 276.34 g/mol, XLogP of 1.91, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(1-cyclopropylethylcarbamoylamino)methyl]phenyl]acetic acid is sourced from PubChem (CID 81318367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).