propan-2-yl (2S)-2-(cyclohexanecarbonylamino)propanoate

C13H23NO3 — CID 94867461

IUPACpropan-2-yl (2S)-2-(cyclohexanecarbonylamino)propanoate
SMILESCC(C)OC(=O)[C@H](C)NC(=O)C1CCCCC1
InChIInChI=1S/C13H23NO3/c1-9(2)17-13(16)10(3)14-12(15)11-7-5-4-6-8-11/h9-11H,4-8H2,1-3H3,(H,14,15)/t10-/m0/s1
InChIKeyLYGDYPMGPREPQR-JTQLQIEISA-N
MW241.33 g/mol
LogP2.02
Rot. Bonds4

About propan-2-yl (2S)-2-(cyclohexanecarbonylamino)propanoate

propan-2-yl (2S)-2-(cyclohexanecarbonylamino)propanoate (PubChem CID 94867461) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is propan-2-yl (2S)-2-(cyclohexanecarbonylamino)propanoate.

Molecular Properties

Compound Namepropan-2-yl (2S)-2-(cyclohexanecarbonylamino)propanoate
PubChem CID94867461
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Namepropan-2-yl (2S)-2-(cyclohexanecarbonylamino)propanoate
SMILESCC(C)OC(=O)[C@H](C)NC(=O)C1CCCCC1
InChIInChI=1S/C13H23NO3/c1-9(2)17-13(16)10(3)14-12(15)11-7-5-4-6-8-11/h9-11H,4-8H2,1-3H3,(H,14,15)/t10-/m0/s1
InChIKeyLYGDYPMGPREPQR-JTQLQIEISA-N
XLogP2.02
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(cycloheptanecarbonylamino)propanoate
CID 55208947
methyl (2S)-2-(cyclohexanecarbonylamino)propanoate
CID 2476646
N-[(2R)-1-(methoxyamino)-1-oxopropan-2-yl]cyclohexanecarboxamide
CID 94646380
pentyl (2S)-2-(cyclohexanecarbonylamino)propanoate
CID 20836661
heptyl 2-(cyclohexanecarbonylamino)propanoate
CID 6420545
molecular hydrogen;N-propan-2-ylcyclohexanecarboxamide
CID 165395427
benzyl (2R)-2-(cyclohexanecarbonylamino)propanoate
CID 171356618
N-(1-oxo-1-piperidin-1-ylpropan-2-yl)cyclopentanecarboxamide
CID 42702289
2,2-dimethylpropyl (2S)-2-(cyclobutanecarbonylamino)propanoate
CID 95572933
tridecyl (2S)-2-(cyclopentanecarbonylamino)propanoate
CID 20836982
ethyl 2-(cyclopropanecarbonylamino)propanoate
CID 58636709
N-(3-aminobutan-2-yl)cyclopentanecarboxamide
CID 130908658

Frequently Asked Questions

What is the IUPAC name of propan-2-yl (2S)-2-(cyclohexanecarbonylamino)propanoate?
The IUPAC name of propan-2-yl (2S)-2-(cyclohexanecarbonylamino)propanoate (CID 94867461) is propan-2-yl (2S)-2-(cyclohexanecarbonylamino)propanoate.
What is the SMILES notation for propan-2-yl (2S)-2-(cyclohexanecarbonylamino)propanoate?
The canonical SMILES for propan-2-yl (2S)-2-(cyclohexanecarbonylamino)propanoate is CC(C)OC(=O)[C@H](C)NC(=O)C1CCCCC1.
What is the InChIKey of propan-2-yl (2S)-2-(cyclohexanecarbonylamino)propanoate?
The InChIKey is LYGDYPMGPREPQR-JTQLQIEISA-N. The full InChI is InChI=1S/C13H23NO3/c1-9(2)17-13(16)10(3)14-12(15)11-7-5-4-6-8-11/h9-11H,4-8H2,1-3H3,(H,14,15)/t10-/m0/s1.
What are the key properties of propan-2-yl (2S)-2-(cyclohexanecarbonylamino)propanoate?
propan-2-yl (2S)-2-(cyclohexanecarbonylamino)propanoate has a molecular weight of 241.33 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl (2S)-2-(cyclohexanecarbonylamino)propanoate is sourced from PubChem (CID 94867461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).