cyclobutyl (2R)-2-(cyclohexanecarbonylamino)propanoate

C14H23NO3 — CID 171344494

IUPACcyclobutyl (2R)-2-(cyclohexanecarbonylamino)propanoate
SMILESC[C@@H](NC(=O)C1CCCCC1)C(=O)OC1CCC1
InChIInChI=1S/C14H23NO3/c1-10(14(17)18-12-8-5-9-12)15-13(16)11-6-3-2-4-7-11/h10-12H,2-9H2,1H3,(H,15,16)/t10-/m1/s1
InChIKeySWDYZWPEWDPTLF-SNVBAGLBSA-N
MW253.34 g/mol
LogP2.17
Rot. Bonds4

About cyclobutyl (2R)-2-(cyclohexanecarbonylamino)propanoate

cyclobutyl (2R)-2-(cyclohexanecarbonylamino)propanoate (PubChem CID 171344494) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is cyclobutyl (2R)-2-(cyclohexanecarbonylamino)propanoate.

Molecular Properties

Compound Namecyclobutyl (2R)-2-(cyclohexanecarbonylamino)propanoate
PubChem CID171344494
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Namecyclobutyl (2R)-2-(cyclohexanecarbonylamino)propanoate
SMILESC[C@@H](NC(=O)C1CCCCC1)C(=O)OC1CCC1
InChIInChI=1S/C14H23NO3/c1-10(14(17)18-12-8-5-9-12)15-13(16)11-6-3-2-4-7-11/h10-12H,2-9H2,1H3,(H,15,16)/t10-/m1/s1
InChIKeySWDYZWPEWDPTLF-SNVBAGLBSA-N
XLogP2.17
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-cyclohexyl-N-[(3S)-2-oxooxolan-3-yl]butanamide
CID 25015292
l-Alanine, N-cyclohexylcarbonyl-, methyl ester
CID 558276
ST089299
CID 344675
4-cyclohexyl-N-(2-oxooxolan-3-yl)butanamide
CID 44270552
methyl (2S)-2-acetamido-3-cyclohexylpropanoate
CID 90680455
Methyl 2-(cyclohexylformamido)acetate
CID 558269
ethyl N-(cyclohexylcarbonyl)leucylglycinate
CID 9551490
cycloheptyl (2R)-2-(cyclohexanecarbonylamino)propanoate
CID 171343630
cyclohexyl (2R)-2-(cyclohexanecarbonylamino)propanoate
CID 171345032
cyclopentyl (2R)-2-(cyclohexanecarbonylamino)propanoate
CID 171347072
cyclohexylmethyl (2R)-2-(cyclohexanecarbonylamino)propanoate
CID 171348633
cyclohexylmethyl (2S)-2-(cyclohexanecarbonylamino)propanoate
CID 171354737

Frequently Asked Questions

What is the IUPAC name of cyclobutyl (2R)-2-(cyclohexanecarbonylamino)propanoate?
The IUPAC name of cyclobutyl (2R)-2-(cyclohexanecarbonylamino)propanoate (CID 171344494) is cyclobutyl (2R)-2-(cyclohexanecarbonylamino)propanoate.
What is the SMILES notation for cyclobutyl (2R)-2-(cyclohexanecarbonylamino)propanoate?
The canonical SMILES for cyclobutyl (2R)-2-(cyclohexanecarbonylamino)propanoate is C[C@@H](NC(=O)C1CCCCC1)C(=O)OC1CCC1.
What is the InChIKey of cyclobutyl (2R)-2-(cyclohexanecarbonylamino)propanoate?
The InChIKey is SWDYZWPEWDPTLF-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H23NO3/c1-10(14(17)18-12-8-5-9-12)15-13(16)11-6-3-2-4-7-11/h10-12H,2-9H2,1H3,(H,15,16)/t10-/m1/s1.
What are the key properties of cyclobutyl (2R)-2-(cyclohexanecarbonylamino)propanoate?
cyclobutyl (2R)-2-(cyclohexanecarbonylamino)propanoate has a molecular weight of 253.34 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl (2R)-2-(cyclohexanecarbonylamino)propanoate is sourced from PubChem (CID 171344494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).