1-(1,2,3,4-tetrahydronaphthalen-1-ylcarbamoylamino)cyclobutane-1-carboxylic acid

C16H20N2O3 — CID 81155808

IUPAC1-(1,2,3,4-tetrahydronaphthalen-1-ylcarbamoylamino)cyclobutane-1-carboxylic acid
SMILESO=C(NC1CCCc2ccccc21)NC1(C(=O)O)CCC1
InChIInChI=1S/C16H20N2O3/c19-14(20)16(9-4-10-16)18-15(21)17-13-8-3-6-11-5-1-2-7-12(11)13/h1-2,5,7,13H,3-4,6,8-10H2,(H,19,20)(H2,17,18,21)
InChIKeyQNLPTAAMIQQIMP-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.37
Rot. Bonds3

About 1-(1,2,3,4-tetrahydronaphthalen-1-ylcarbamoylamino)cyclobutane-1-carboxylic acid

1-(1,2,3,4-tetrahydronaphthalen-1-ylcarbamoylamino)cyclobutane-1-carboxylic acid (PubChem CID 81155808) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 1-(1,2,3,4-tetrahydronaphthalen-1-ylcarbamoylamino)cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-(1,2,3,4-tetrahydronaphthalen-1-ylcarbamoylamino)cyclobutane-1-carboxylic acid
PubChem CID81155808
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name1-(1,2,3,4-tetrahydronaphthalen-1-ylcarbamoylamino)cyclobutane-1-carboxylic acid
SMILESO=C(NC1CCCc2ccccc21)NC1(C(=O)O)CCC1
InChIInChI=1S/C16H20N2O3/c19-14(20)16(9-4-10-16)18-15(21)17-13-8-3-6-11-5-1-2-7-12(11)13/h1-2,5,7,13H,3-4,6,8-10H2,(H,19,20)(H2,17,18,21)
InChIKeyQNLPTAAMIQQIMP-UHFFFAOYSA-N
XLogP2.37
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1,2,3,4-tetrahydronaphthalen-1-ylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid
CID 115451567
1-cyclobutyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
CID 115617814
N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl fluoride
CID 90147743
1-cyano-N-(1,2,3,4-tetrahydronaphthalen-1-yl)cyclobutane-1-carboxamide
CID 78994938
1-benzamido-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
CID 47023890
1-(2-hydroxyethyl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
CID 21393473
(2R)-2-(1,2,3,4-tetrahydronaphthalen-1-ylcarbamoylamino)propanoic acid
CID 78988055
1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
CID 111503818
cis-(1R,2S)-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]cyclopropane-1-carboxylic acid
CID 124670671
N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]cyclopropanecarboxamide
CID 7688429
2,3,4,5,6-pentafluoro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 71474180
2-methyl-4-(1,2,3,4-tetrahydronaphthalen-1-ylcarbamoylamino)butanoic acid
CID 80541261

Frequently Asked Questions

What is the IUPAC name of 1-(1,2,3,4-tetrahydronaphthalen-1-ylcarbamoylamino)cyclobutane-1-carboxylic acid?
The IUPAC name of 1-(1,2,3,4-tetrahydronaphthalen-1-ylcarbamoylamino)cyclobutane-1-carboxylic acid (CID 81155808) is 1-(1,2,3,4-tetrahydronaphthalen-1-ylcarbamoylamino)cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-(1,2,3,4-tetrahydronaphthalen-1-ylcarbamoylamino)cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-(1,2,3,4-tetrahydronaphthalen-1-ylcarbamoylamino)cyclobutane-1-carboxylic acid is O=C(NC1CCCc2ccccc21)NC1(C(=O)O)CCC1.
What is the InChIKey of 1-(1,2,3,4-tetrahydronaphthalen-1-ylcarbamoylamino)cyclobutane-1-carboxylic acid?
The InChIKey is QNLPTAAMIQQIMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c19-14(20)16(9-4-10-16)18-15(21)17-13-8-3-6-11-5-1-2-7-12(11)13/h1-2,5,7,13H,3-4,6,8-10H2,(H,19,20)(H2,17,18,21).
What are the key properties of 1-(1,2,3,4-tetrahydronaphthalen-1-ylcarbamoylamino)cyclobutane-1-carboxylic acid?
1-(1,2,3,4-tetrahydronaphthalen-1-ylcarbamoylamino)cyclobutane-1-carboxylic acid has a molecular weight of 288.35 g/mol, XLogP of 2.37, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2,3,4-tetrahydronaphthalen-1-ylcarbamoylamino)cyclobutane-1-carboxylic acid is sourced from PubChem (CID 81155808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).