2-[3-(1-cyclopropylpropan-2-ylcarbamoylamino)phenyl]acetic acid

C15H20N2O3 — CID 65350042

IUPAC2-[3-(1-cyclopropylpropan-2-ylcarbamoylamino)phenyl]acetic acid
SMILESCC(CC1CC1)NC(=O)Nc1cccc(CC(=O)O)c1
InChIInChI=1S/C15H20N2O3/c1-10(7-11-5-6-11)16-15(20)17-13-4-2-3-12(8-13)9-14(18)19/h2-4,8,10-11H,5-7,9H2,1H3,(H,18,19)(H2,16,17,20)
InChIKeyRRNKNBOZFLHLHY-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.62
Rot. Bonds6

About 2-[3-(1-cyclopropylpropan-2-ylcarbamoylamino)phenyl]acetic acid

2-[3-(1-cyclopropylpropan-2-ylcarbamoylamino)phenyl]acetic acid (PubChem CID 65350042) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-[3-(1-cyclopropylpropan-2-ylcarbamoylamino)phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-(1-cyclopropylpropan-2-ylcarbamoylamino)phenyl]acetic acid
PubChem CID65350042
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name2-[3-(1-cyclopropylpropan-2-ylcarbamoylamino)phenyl]acetic acid
SMILESCC(CC1CC1)NC(=O)Nc1cccc(CC(=O)O)c1
InChIInChI=1S/C15H20N2O3/c1-10(7-11-5-6-11)16-15(20)17-13-4-2-3-12(8-13)9-14(18)19/h2-4,8,10-11H,5-7,9H2,1H3,(H,18,19)(H2,16,17,20)
InChIKeyRRNKNBOZFLHLHY-UHFFFAOYSA-N
XLogP2.62
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 ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-cyclopropylpropan-2-yl)-3-[3-[1-(ethylamino)ethyl]phenyl]urea
CID 63995585
2-[3-(cyclobutylmethylcarbamoylamino)phenyl]acetic acid
CID 65345766
2-[3-(methylcarbamoylamino)phenyl]acetic acid;hydrochloride
CID 70623172
1-[3-(cyclopropylmethoxymethyl)phenyl]-3-(1-hydroxypropan-2-yl)urea
CID 110907808
N-[3-(1-cyclopropylpropan-2-ylamino)phenyl]acetamide
CID 115916889
2-[3-[[(2R)-2-aminopropanoyl]amino]phenyl]acetic acid
CID 65350383
2-[3-[[2-(3-methylcyclohexyl)acetyl]amino]phenyl]acetic acid
CID 119351587
2-[3-[2-(methylamino)propanoylamino]phenyl]acetic acid
CID 65350474
2-[3-(4-propan-2-yloxybutanoylamino)phenyl]acetic acid
CID 120688421
2-[3-[[2-methyl-3-(methylamino)propanoyl]amino]phenyl]acetic acid
CID 79202787
2-[3-(3-aminobutanoylamino)phenyl]acetic acid
CID 65349953
2-[3-(methoxycarbonylamino)phenyl]acetic acid
CID 21387794

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-cyclopropylpropan-2-ylcarbamoylamino)phenyl]acetic acid?
The IUPAC name of 2-[3-(1-cyclopropylpropan-2-ylcarbamoylamino)phenyl]acetic acid (CID 65350042) is 2-[3-(1-cyclopropylpropan-2-ylcarbamoylamino)phenyl]acetic acid.
What is the SMILES notation for 2-[3-(1-cyclopropylpropan-2-ylcarbamoylamino)phenyl]acetic acid?
The canonical SMILES for 2-[3-(1-cyclopropylpropan-2-ylcarbamoylamino)phenyl]acetic acid is CC(CC1CC1)NC(=O)Nc1cccc(CC(=O)O)c1.
What is the InChIKey of 2-[3-(1-cyclopropylpropan-2-ylcarbamoylamino)phenyl]acetic acid?
The InChIKey is RRNKNBOZFLHLHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-10(7-11-5-6-11)16-15(20)17-13-4-2-3-12(8-13)9-14(18)19/h2-4,8,10-11H,5-7,9H2,1H3,(H,18,19)(H2,16,17,20).
What are the key properties of 2-[3-(1-cyclopropylpropan-2-ylcarbamoylamino)phenyl]acetic acid?
2-[3-(1-cyclopropylpropan-2-ylcarbamoylamino)phenyl]acetic acid has a molecular weight of 276.34 g/mol, XLogP of 2.62, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-cyclopropylpropan-2-ylcarbamoylamino)phenyl]acetic acid is sourced from PubChem (CID 65350042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).