2-[2-(1-cyclopropylbutan-2-ylcarbamoylamino)phenyl]acetic acid

C16H22N2O3 — CID 63994767

IUPAC2-[2-(1-cyclopropylbutan-2-ylcarbamoylamino)phenyl]acetic acid
SMILESCCC(CC1CC1)NC(=O)Nc1ccccc1CC(=O)O
InChIInChI=1S/C16H22N2O3/c1-2-13(9-11-7-8-11)17-16(21)18-14-6-4-3-5-12(14)10-15(19)20/h3-6,11,13H,2,7-10H2,1H3,(H,19,20)(H2,17,18,21)
InChIKeyUQSCMYUDFVZSNL-UHFFFAOYSA-N
MW290.36 g/mol
LogP3.01
Rot. Bonds7

About 2-[2-(1-cyclopropylbutan-2-ylcarbamoylamino)phenyl]acetic acid

2-[2-(1-cyclopropylbutan-2-ylcarbamoylamino)phenyl]acetic acid (PubChem CID 63994767) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 2-[2-(1-cyclopropylbutan-2-ylcarbamoylamino)phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-(1-cyclopropylbutan-2-ylcarbamoylamino)phenyl]acetic acid
PubChem CID63994767
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name2-[2-(1-cyclopropylbutan-2-ylcarbamoylamino)phenyl]acetic acid
SMILESCCC(CC1CC1)NC(=O)Nc1ccccc1CC(=O)O
InChIInChI=1S/C16H22N2O3/c1-2-13(9-11-7-8-11)17-16(21)18-14-6-4-3-5-12(14)10-15(19)20/h3-6,11,13H,2,7-10H2,1H3,(H,19,20)(H2,17,18,21)
InChIKeyUQSCMYUDFVZSNL-UHFFFAOYSA-N
XLogP3.01
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 53.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[(1-cyclopropylbutan-2-ylamino)methyl]phenyl]acetamide
CID 66418081
5-bromo-2-(1-cyclopropylbutan-2-ylcarbamoylamino)benzoic acid
CID 63993787
4-(1-cyclopropylbutan-2-ylcarbamoylamino)-3-hydroxybenzoic acid
CID 63996353
1-(1-cyclopropylethyl)-3-(2-ethylphenyl)urea
CID 47133266
2-[2-[[1-(methylamino)-1-oxopropan-2-yl]carbamoylamino]phenyl]acetic acid
CID 62536151
2-(1-cyclopropylbutan-2-ylamino)-6-fluorobenzoic acid
CID 79511641
1-[2-(cyclopropylmethoxy)phenyl]-3-(1-hydroxypentan-3-yl)urea
CID 111453706
1-(2-chlorophenyl)-3-pentan-3-ylurea
CID 47103627
1-(2-bromophenyl)-3-pentan-3-ylurea
CID 108888381
2-[2-[[cyclopropyl(ethyl)carbamoyl]amino]phenyl]acetic acid
CID 62534801
1-pentan-3-yl-3-(2-phenylsulfanylphenyl)urea
CID 108888275
2-[2-[[2-(cyclopropylmethoxy)acetyl]amino]phenyl]acetic acid
CID 119218359

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-cyclopropylbutan-2-ylcarbamoylamino)phenyl]acetic acid?
The IUPAC name of 2-[2-(1-cyclopropylbutan-2-ylcarbamoylamino)phenyl]acetic acid (CID 63994767) is 2-[2-(1-cyclopropylbutan-2-ylcarbamoylamino)phenyl]acetic acid.
What is the SMILES notation for 2-[2-(1-cyclopropylbutan-2-ylcarbamoylamino)phenyl]acetic acid?
The canonical SMILES for 2-[2-(1-cyclopropylbutan-2-ylcarbamoylamino)phenyl]acetic acid is CCC(CC1CC1)NC(=O)Nc1ccccc1CC(=O)O.
What is the InChIKey of 2-[2-(1-cyclopropylbutan-2-ylcarbamoylamino)phenyl]acetic acid?
The InChIKey is UQSCMYUDFVZSNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-2-13(9-11-7-8-11)17-16(21)18-14-6-4-3-5-12(14)10-15(19)20/h3-6,11,13H,2,7-10H2,1H3,(H,19,20)(H2,17,18,21).
What are the key properties of 2-[2-(1-cyclopropylbutan-2-ylcarbamoylamino)phenyl]acetic acid?
2-[2-(1-cyclopropylbutan-2-ylcarbamoylamino)phenyl]acetic acid has a molecular weight of 290.36 g/mol, XLogP of 3.01, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-cyclopropylbutan-2-ylcarbamoylamino)phenyl]acetic acid is sourced from PubChem (CID 63994767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).