2-[benzyl(cyclobutylmethyl)carbamoyl]cyclobutane-1-carboxylic acid

C18H23NO3 — CID 120975549

IUPAC2-[benzyl(cyclobutylmethyl)carbamoyl]cyclobutane-1-carboxylic acid
SMILESO=C(O)C1CCC1C(=O)N(Cc1ccccc1)CC1CCC1
InChIInChI=1S/C18H23NO3/c20-17(15-9-10-16(15)18(21)22)19(12-14-7-4-8-14)11-13-5-2-1-3-6-13/h1-3,5-6,14-16H,4,7-12H2,(H,21,22)
InChIKeyDUWAYUCMTWVWQY-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.93
Rot. Bonds6

About 2-[benzyl(cyclobutylmethyl)carbamoyl]cyclobutane-1-carboxylic acid

2-[benzyl(cyclobutylmethyl)carbamoyl]cyclobutane-1-carboxylic acid (PubChem CID 120975549) has the molecular formula C18H23NO3 and a molecular weight of 301.39 g/mol. Its IUPAC name is 2-[benzyl(cyclobutylmethyl)carbamoyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name2-[benzyl(cyclobutylmethyl)carbamoyl]cyclobutane-1-carboxylic acid
PubChem CID120975549
Molecular FormulaC18H23NO3
Molecular Weight301.39 g/mol
Exact Mass301.17
IUPAC Name2-[benzyl(cyclobutylmethyl)carbamoyl]cyclobutane-1-carboxylic acid
SMILESO=C(O)C1CCC1C(=O)N(Cc1ccccc1)CC1CCC1
InChIInChI=1S/C18H23NO3/c20-17(15-9-10-16(15)18(21)22)19(12-14-7-4-8-14)11-13-5-2-1-3-6-13/h1-3,5-6,14-16H,4,7-12H2,(H,21,22)
InChIKeyDUWAYUCMTWVWQY-UHFFFAOYSA-N
XLogP2.93
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 93234593
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4-[[benzyl(cyclobutylmethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 122025029
N-benzyl-3-(2-chlorophenyl)-N-(cyclobutylmethyl)prop-2-enamide
CID 3348745
5-[benzyl(cyclobutylmethyl)carbamoyl]pyrazine-2-carboxylic acid
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2-[benzyl(cyclobutylmethyl)amino]acetic acid
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2-amino-N-benzyl-N-(cyclobutylmethyl)pentanamide
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4-[[benzyl(cyclobutylmethyl)carbamoyl]amino]butanoic acid
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CID 112760283

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(cyclobutylmethyl)carbamoyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 2-[benzyl(cyclobutylmethyl)carbamoyl]cyclobutane-1-carboxylic acid (CID 120975549) is 2-[benzyl(cyclobutylmethyl)carbamoyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 2-[benzyl(cyclobutylmethyl)carbamoyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 2-[benzyl(cyclobutylmethyl)carbamoyl]cyclobutane-1-carboxylic acid is O=C(O)C1CCC1C(=O)N(Cc1ccccc1)CC1CCC1.
What is the InChIKey of 2-[benzyl(cyclobutylmethyl)carbamoyl]cyclobutane-1-carboxylic acid?
The InChIKey is DUWAYUCMTWVWQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO3/c20-17(15-9-10-16(15)18(21)22)19(12-14-7-4-8-14)11-13-5-2-1-3-6-13/h1-3,5-6,14-16H,4,7-12H2,(H,21,22).
What are the key properties of 2-[benzyl(cyclobutylmethyl)carbamoyl]cyclobutane-1-carboxylic acid?
2-[benzyl(cyclobutylmethyl)carbamoyl]cyclobutane-1-carboxylic acid has a molecular weight of 301.39 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(cyclobutylmethyl)carbamoyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 120975549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).