cyclopropyl (2R)-2-(cyclohexanecarbonylamino)propanoate

C13H21NO3 — CID 171357287

IUPACcyclopropyl (2R)-2-(cyclohexanecarbonylamino)propanoate
SMILESC[C@@H](NC(=O)C1CCCCC1)C(=O)OC1CC1
InChIInChI=1S/C13H21NO3/c1-9(13(16)17-11-7-8-11)14-12(15)10-5-3-2-4-6-10/h9-11H,2-8H2,1H3,(H,14,15)/t9-/m1/s1
InChIKeyFYVFZFIDASIQII-SECBINFHSA-N
MW239.31 g/mol
LogP1.78
Rot. Bonds4

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

cyclopropyl (2R)-2-(cyclohexanecarbonylamino)propanoate (PubChem CID 171357287) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is cyclopropyl (2R)-2-(cyclohexanecarbonylamino)propanoate.

Molecular Properties

Compound Namecyclopropyl (2R)-2-(cyclohexanecarbonylamino)propanoate
PubChem CID171357287
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Namecyclopropyl (2R)-2-(cyclohexanecarbonylamino)propanoate
SMILESC[C@@H](NC(=O)C1CCCCC1)C(=O)OC1CC1
InChIInChI=1S/C13H21NO3/c1-9(13(16)17-11-7-8-11)14-12(15)10-5-3-2-4-6-10/h9-11H,2-8H2,1H3,(H,14,15)/t9-/m1/s1
InChIKeyFYVFZFIDASIQII-SECBINFHSA-N
XLogP1.78
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl N-[(4-methylcyclohexyl)carbonyl]isoleucylglycinate
CID 3245408
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
Glycine, N-(((1R,2S,5R)-5-methyl-2-(1-methylethyl)cyclohexyl)carbonyl)-, 1-methylethyl ester
CID 57378005
Methyl 2-(cyclohexylformamido)acetate
CID 558269
ethyl N-(cyclohexylcarbonyl)leucylglycinate
CID 9551490
cycloheptyl (2R)-2-(cyclohexanecarbonylamino)propanoate
CID 171343630
cyclobutyl (2R)-2-(cyclohexanecarbonylamino)propanoate
CID 171344494
cyclohexyl (2R)-2-(cyclohexanecarbonylamino)propanoate
CID 171345032

Frequently Asked Questions

What is the IUPAC name of cyclopropyl (2R)-2-(cyclohexanecarbonylamino)propanoate?
The IUPAC name of cyclopropyl (2R)-2-(cyclohexanecarbonylamino)propanoate (CID 171357287) is cyclopropyl (2R)-2-(cyclohexanecarbonylamino)propanoate.
What is the SMILES notation for cyclopropyl (2R)-2-(cyclohexanecarbonylamino)propanoate?
The canonical SMILES for cyclopropyl (2R)-2-(cyclohexanecarbonylamino)propanoate is C[C@@H](NC(=O)C1CCCCC1)C(=O)OC1CC1.
What is the InChIKey of cyclopropyl (2R)-2-(cyclohexanecarbonylamino)propanoate?
The InChIKey is FYVFZFIDASIQII-SECBINFHSA-N. The full InChI is InChI=1S/C13H21NO3/c1-9(13(16)17-11-7-8-11)14-12(15)10-5-3-2-4-6-10/h9-11H,2-8H2,1H3,(H,14,15)/t9-/m1/s1.
What are the key properties of cyclopropyl (2R)-2-(cyclohexanecarbonylamino)propanoate?
cyclopropyl (2R)-2-(cyclohexanecarbonylamino)propanoate has a molecular weight of 239.31 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl (2R)-2-(cyclohexanecarbonylamino)propanoate is sourced from PubChem (CID 171357287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).