1-[cyclopropyl(phenylmethoxycarbonyl)amino]-3-propan-2-ylcyclobutane-1-carboxylic acid

C19H25NO4 — CID 103563637

IUPAC1-[cyclopropyl(phenylmethoxycarbonyl)amino]-3-propan-2-ylcyclobutane-1-carboxylic acid
SMILESCC(C)C1CC(C(=O)O)(N(C(=O)OCc2ccccc2)C2CC2)C1
InChIInChI=1S/C19H25NO4/c1-13(2)15-10-19(11-15,17(21)22)20(16-8-9-16)18(23)24-12-14-6-4-3-5-7-14/h3-7,13,15-16H,8-12H2,1-2H3,(H,21,22)
InChIKeyDDBGSYHNZTXBNJ-UHFFFAOYSA-N
MW331.41 g/mol
LogP3.68
Rot. Bonds6

About 1-[cyclopropyl(phenylmethoxycarbonyl)amino]-3-propan-2-ylcyclobutane-1-carboxylic acid

1-[cyclopropyl(phenylmethoxycarbonyl)amino]-3-propan-2-ylcyclobutane-1-carboxylic acid (PubChem CID 103563637) has the molecular formula C19H25NO4 and a molecular weight of 331.41 g/mol. Its IUPAC name is 1-[cyclopropyl(phenylmethoxycarbonyl)amino]-3-propan-2-ylcyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[cyclopropyl(phenylmethoxycarbonyl)amino]-3-propan-2-ylcyclobutane-1-carboxylic acid
PubChem CID103563637
Molecular FormulaC19H25NO4
Molecular Weight331.41 g/mol
Exact Mass331.18
IUPAC Name1-[cyclopropyl(phenylmethoxycarbonyl)amino]-3-propan-2-ylcyclobutane-1-carboxylic acid
SMILESCC(C)C1CC(C(=O)O)(N(C(=O)OCc2ccccc2)C2CC2)C1
InChIInChI=1S/C19H25NO4/c1-13(2)15-10-19(11-15,17(21)22)20(16-8-9-16)18(23)24-12-14-6-4-3-5-7-14/h3-7,13,15-16H,8-12H2,1-2H3,(H,21,22)
InChIKeyDDBGSYHNZTXBNJ-UHFFFAOYSA-N
XLogP3.68
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.41
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[cyclopropyl(phenylmethoxycarbonyl)amino]-1,5-dimethylpyrrolidine-3-carboxylic acid
CID 103805325
3-[cyclopropyl(phenylmethoxycarbonyl)amino]-5,5-dimethylthiane-3-carboxylic acid
CID 103739811
benzyl N-cyclopropyl-N-propylcarbamate
CID 130159300
benzyl N-(4-aminocyclohexyl)-N-methylcarbamate
CID 91599052
benzyl (2S)-2-cyclopropylpropanoate
CID 59779045
benzyl N-(4-methylcyclohexyl)-N-phenylcarbamate
CID 71093991
benzyl N-[(1R,3R,4S)-3,4-dihydroxycyclohexyl]-N-methylcarbamate
CID 67475983
benzyl N-(4-chlorosulfinylcyclohexyl)-N-methylcarbamate
CID 155061465
benzyl 3-[cyclopropyl(methyl)amino]-2-methylpropanoate
CID 106484239
1-(phenylmethoxycarbonylaminomethyl)-4-propan-2-ylcyclohexane-1-carboxylic acid
CID 165478968
benzyl N-(1-cyclobutylpropan-2-yl)-N-methylcarbamate;formic acid
CID 163373377
3-ethoxy-1-[methyl(phenylmethoxycarbonyl)amino]cyclobutane-1-carboxylic acid
CID 106822762

Frequently Asked Questions

What is the IUPAC name of 1-[cyclopropyl(phenylmethoxycarbonyl)amino]-3-propan-2-ylcyclobutane-1-carboxylic acid?
The IUPAC name of 1-[cyclopropyl(phenylmethoxycarbonyl)amino]-3-propan-2-ylcyclobutane-1-carboxylic acid (CID 103563637) is 1-[cyclopropyl(phenylmethoxycarbonyl)amino]-3-propan-2-ylcyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[cyclopropyl(phenylmethoxycarbonyl)amino]-3-propan-2-ylcyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[cyclopropyl(phenylmethoxycarbonyl)amino]-3-propan-2-ylcyclobutane-1-carboxylic acid is CC(C)C1CC(C(=O)O)(N(C(=O)OCc2ccccc2)C2CC2)C1.
What is the InChIKey of 1-[cyclopropyl(phenylmethoxycarbonyl)amino]-3-propan-2-ylcyclobutane-1-carboxylic acid?
The InChIKey is DDBGSYHNZTXBNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO4/c1-13(2)15-10-19(11-15,17(21)22)20(16-8-9-16)18(23)24-12-14-6-4-3-5-7-14/h3-7,13,15-16H,8-12H2,1-2H3,(H,21,22).
What are the key properties of 1-[cyclopropyl(phenylmethoxycarbonyl)amino]-3-propan-2-ylcyclobutane-1-carboxylic acid?
1-[cyclopropyl(phenylmethoxycarbonyl)amino]-3-propan-2-ylcyclobutane-1-carboxylic acid has a molecular weight of 331.41 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[cyclopropyl(phenylmethoxycarbonyl)amino]-3-propan-2-ylcyclobutane-1-carboxylic acid is sourced from PubChem (CID 103563637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).