cyclohexylmethyl (2S)-2-(cyclohexanecarbonylamino)propanoate

C17H29NO3 — CID 171354737

IUPACcyclohexylmethyl (2S)-2-(cyclohexanecarbonylamino)propanoate
SMILESC[C@H](NC(=O)C1CCCCC1)C(=O)OCC1CCCCC1
InChIInChI=1S/C17H29NO3/c1-13(18-16(19)15-10-6-3-7-11-15)17(20)21-12-14-8-4-2-5-9-14/h13-15H,2-12H2,1H3,(H,18,19)/t13-/m0/s1
InChIKeyUQDCJCAFNIOZHR-ZDUSSCGKSA-N
MW295.42 g/mol
LogP3.19
Rot. Bonds5

About cyclohexylmethyl (2S)-2-(cyclohexanecarbonylamino)propanoate

cyclohexylmethyl (2S)-2-(cyclohexanecarbonylamino)propanoate (PubChem CID 171354737) has the molecular formula C17H29NO3 and a molecular weight of 295.42 g/mol. Its IUPAC name is cyclohexylmethyl (2S)-2-(cyclohexanecarbonylamino)propanoate.

Molecular Properties

Compound Namecyclohexylmethyl (2S)-2-(cyclohexanecarbonylamino)propanoate
PubChem CID171354737
Molecular FormulaC17H29NO3
Molecular Weight295.42 g/mol
Exact Mass295.21
IUPAC Namecyclohexylmethyl (2S)-2-(cyclohexanecarbonylamino)propanoate
SMILESC[C@H](NC(=O)C1CCCCC1)C(=O)OCC1CCCCC1
InChIInChI=1S/C17H29NO3/c1-13(18-16(19)15-10-6-3-7-11-15)17(20)21-12-14-8-4-2-5-9-14/h13-15H,2-12H2,1H3,(H,18,19)/t13-/m0/s1
InChIKeyUQDCJCAFNIOZHR-ZDUSSCGKSA-N
XLogP3.19
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.42
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

l-Alanine, N-cyclohexylcarbonyl-, methyl ester
CID 558276
ST089299
CID 344675
methyl (2S)-2-acetamido-3-cyclohexylpropanoate
CID 90680455
ethyl N-(cyclohexylcarbonyl)leucylglycinate
CID 9551490
3-cyclohexylpropyl (2S)-2-[(3,3-dimethyl-2-oxobutanoyl)amino]-4-methylpentanoate
CID 44414907
cycloheptyl (2R)-2-(cyclohexanecarbonylamino)propanoate
CID 171343630
cyclobutyl (2R)-2-(cyclohexanecarbonylamino)propanoate
CID 171344494
cyclohexyl (2R)-2-(cyclohexanecarbonylamino)propanoate
CID 171345032
cyclopentyl (2R)-2-(cyclohexanecarbonylamino)propanoate
CID 171347072
cyclohexylmethyl (2R)-2-(cyclohexanecarbonylamino)propanoate
CID 171348633
cyclododecyl (2R)-2-(cyclohexanecarbonylamino)propanoate
CID 171355633
cyclopentadecyl (2R)-2-(cyclohexanecarbonylamino)propanoate
CID 171355867

Frequently Asked Questions

What is the IUPAC name of cyclohexylmethyl (2S)-2-(cyclohexanecarbonylamino)propanoate?
The IUPAC name of cyclohexylmethyl (2S)-2-(cyclohexanecarbonylamino)propanoate (CID 171354737) is cyclohexylmethyl (2S)-2-(cyclohexanecarbonylamino)propanoate.
What is the SMILES notation for cyclohexylmethyl (2S)-2-(cyclohexanecarbonylamino)propanoate?
The canonical SMILES for cyclohexylmethyl (2S)-2-(cyclohexanecarbonylamino)propanoate is C[C@H](NC(=O)C1CCCCC1)C(=O)OCC1CCCCC1.
What is the InChIKey of cyclohexylmethyl (2S)-2-(cyclohexanecarbonylamino)propanoate?
The InChIKey is UQDCJCAFNIOZHR-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H29NO3/c1-13(18-16(19)15-10-6-3-7-11-15)17(20)21-12-14-8-4-2-5-9-14/h13-15H,2-12H2,1H3,(H,18,19)/t13-/m0/s1.
What are the key properties of cyclohexylmethyl (2S)-2-(cyclohexanecarbonylamino)propanoate?
cyclohexylmethyl (2S)-2-(cyclohexanecarbonylamino)propanoate has a molecular weight of 295.42 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexylmethyl (2S)-2-(cyclohexanecarbonylamino)propanoate is sourced from PubChem (CID 171354737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).