2-[3-(cyclobutylmethylcarbamoylamino)phenyl]acetic acid

C14H18N2O3 — CID 65345766

IUPAC2-[3-(cyclobutylmethylcarbamoylamino)phenyl]acetic acid
SMILESO=C(O)Cc1cccc(NC(=O)NCC2CCC2)c1
InChIInChI=1S/C14H18N2O3/c17-13(18)8-11-5-2-6-12(7-11)16-14(19)15-9-10-3-1-4-10/h2,5-7,10H,1,3-4,8-9H2,(H,17,18)(H2,15,16,19)
InChIKeyONQXNXCHLVIQOZ-UHFFFAOYSA-N
MW262.31 g/mol
LogP2.24
Rot. Bonds5

About 2-[3-(cyclobutylmethylcarbamoylamino)phenyl]acetic acid

2-[3-(cyclobutylmethylcarbamoylamino)phenyl]acetic acid (PubChem CID 65345766) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 2-[3-(cyclobutylmethylcarbamoylamino)phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-(cyclobutylmethylcarbamoylamino)phenyl]acetic acid
PubChem CID65345766
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name2-[3-(cyclobutylmethylcarbamoylamino)phenyl]acetic acid
SMILESO=C(O)Cc1cccc(NC(=O)NCC2CCC2)c1
InChIInChI=1S/C14H18N2O3/c17-13(18)8-11-5-2-6-12(7-11)16-14(19)15-9-10-3-1-4-10/h2,5-7,10H,1,3-4,8-9H2,(H,17,18)(H2,15,16,19)
InChIKeyONQXNXCHLVIQOZ-UHFFFAOYSA-N
XLogP2.24
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(cyclopentylmethylcarbamoylamino)phenyl]acetic acid
CID 61197827
1-(3-chlorophenyl)-3-(cyclopentylmethyl)urea
CID 38887276
2-[3-[[2-(3-methylcyclohexyl)acetyl]amino]phenyl]acetic acid
CID 119351587
1-(3-fluorophenyl)-3-[[3-[[(3-fluorophenyl)carbamoylamino]methyl]cyclohexyl]methyl]urea
CID 43835568
1-(3-methoxyphenyl)-3-[[(1R,3S)-3-[[(3-methoxyphenyl)carbamoylamino]methyl]cyclohexyl]methyl]urea
CID 27017960
2-[3-(1-cyclopropylpropan-2-ylcarbamoylamino)phenyl]acetic acid
CID 65350042
3-[4-(cyclobutylmethylcarbamoylamino)phenyl]propanoic acid
CID 115340644
2-[3-(methylcarbamoylamino)phenyl]acetic acid;hydrochloride
CID 70623172
2-[3-(3-methoxypropylcarbamoylamino)phenyl]acetic acid
CID 65345451
2-[3-[(4-amino-4-oxobutyl)carbamoylamino]phenyl]acetic acid
CID 65345815
1-(cyclohexylmethyl)-3-(3-nitrophenyl)urea
CID 31772081
2-[3-(methoxycarbonylamino)phenyl]acetic acid
CID 21387794

Frequently Asked Questions

What is the IUPAC name of 2-[3-(cyclobutylmethylcarbamoylamino)phenyl]acetic acid?
The IUPAC name of 2-[3-(cyclobutylmethylcarbamoylamino)phenyl]acetic acid (CID 65345766) is 2-[3-(cyclobutylmethylcarbamoylamino)phenyl]acetic acid.
What is the SMILES notation for 2-[3-(cyclobutylmethylcarbamoylamino)phenyl]acetic acid?
The canonical SMILES for 2-[3-(cyclobutylmethylcarbamoylamino)phenyl]acetic acid is O=C(O)Cc1cccc(NC(=O)NCC2CCC2)c1.
What is the InChIKey of 2-[3-(cyclobutylmethylcarbamoylamino)phenyl]acetic acid?
The InChIKey is ONQXNXCHLVIQOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c17-13(18)8-11-5-2-6-12(7-11)16-14(19)15-9-10-3-1-4-10/h2,5-7,10H,1,3-4,8-9H2,(H,17,18)(H2,15,16,19).
What are the key properties of 2-[3-(cyclobutylmethylcarbamoylamino)phenyl]acetic acid?
2-[3-(cyclobutylmethylcarbamoylamino)phenyl]acetic acid has a molecular weight of 262.31 g/mol, XLogP of 2.24, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(cyclobutylmethylcarbamoylamino)phenyl]acetic acid is sourced from PubChem (CID 65345766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).