tetradecyl (2S)-2-(cyclobutanecarbonylamino)propanoate

C22H41NO3 — CID 20836864

IUPACtetradecyl (2S)-2-(cyclobutanecarbonylamino)propanoate
SMILESCCCCCCCCCCCCCCOC(=O)[C@H](C)NC(=O)C1CCC1
InChIInChI=1S/C22H41NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-18-26-22(25)19(2)23-21(24)20-16-15-17-20/h19-20H,3-18H2,1-2H3,(H,23,24)/t19-/m0/s1
InChIKeyHCHRSPYLYXGJRK-IBGZPJMESA-N
MW367.57 g/mol
LogP5.54
Rot. Bonds16

About tetradecyl (2S)-2-(cyclobutanecarbonylamino)propanoate

tetradecyl (2S)-2-(cyclobutanecarbonylamino)propanoate (PubChem CID 20836864) has the molecular formula C22H41NO3 and a molecular weight of 367.57 g/mol. Its IUPAC name is tetradecyl (2S)-2-(cyclobutanecarbonylamino)propanoate.

Molecular Properties

Compound Nametetradecyl (2S)-2-(cyclobutanecarbonylamino)propanoate
PubChem CID20836864
Molecular FormulaC22H41NO3
Molecular Weight367.57 g/mol
Exact Mass367.31
IUPAC Nametetradecyl (2S)-2-(cyclobutanecarbonylamino)propanoate
SMILESCCCCCCCCCCCCCCOC(=O)[C@H](C)NC(=O)C1CCC1
InChIInChI=1S/C22H41NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-18-26-22(25)19(2)23-21(24)20-16-15-17-20/h19-20H,3-18H2,1-2H3,(H,23,24)/t19-/m0/s1
InChIKeyHCHRSPYLYXGJRK-IBGZPJMESA-N
XLogP5.54
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.57
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze tetradecyl (2S)-2-(cyclobutanecarbonylamino)propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tridecyl (2S)-2-(cyclobutanecarbonylamino)propanoate
CID 20836869
tridecyl (2S)-2-(cyclopentanecarbonylamino)propanoate
CID 20836982
heptyl 2-(cyclohexanecarbonylamino)propanoate
CID 6420545
pentyl (2S)-2-(cyclohexanecarbonylamino)propanoate
CID 20836661
ethyl (2S)-2-[[(1R,3S)-3-[[(2S)-1-ethoxy-1-oxopropan-2-yl]carbamoyl]cyclohexanecarbonyl]amino]propanoate
CID 52517363
ethyl 2-(cyclopropanecarbonylamino)propanoate
CID 58636709
dodecyl (2S)-2-(methoxycarbonylamino)propanoate
CID 20836777
heptadecyl (2S)-2-(butoxycarbonylamino)propanoate
CID 20837023
tetradecyl 2-(propoxycarbonylamino)propanoate
CID 6422780
hexyl 2-(pentanoylamino)propanoate
CID 6420522
pentyl 2-(pentanoylamino)propanoate
CID 6420533
N-heptan-2-ylcyclopentanecarboxamide
CID 5012700

Frequently Asked Questions

What is the IUPAC name of tetradecyl (2S)-2-(cyclobutanecarbonylamino)propanoate?
The IUPAC name of tetradecyl (2S)-2-(cyclobutanecarbonylamino)propanoate (CID 20836864) is tetradecyl (2S)-2-(cyclobutanecarbonylamino)propanoate.
What is the SMILES notation for tetradecyl (2S)-2-(cyclobutanecarbonylamino)propanoate?
The canonical SMILES for tetradecyl (2S)-2-(cyclobutanecarbonylamino)propanoate is CCCCCCCCCCCCCCOC(=O)[C@H](C)NC(=O)C1CCC1.
What is the InChIKey of tetradecyl (2S)-2-(cyclobutanecarbonylamino)propanoate?
The InChIKey is HCHRSPYLYXGJRK-IBGZPJMESA-N. The full InChI is InChI=1S/C22H41NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-18-26-22(25)19(2)23-21(24)20-16-15-17-20/h19-20H,3-18H2,1-2H3,(H,23,24)/t19-/m0/s1.
What are the key properties of tetradecyl (2S)-2-(cyclobutanecarbonylamino)propanoate?
tetradecyl (2S)-2-(cyclobutanecarbonylamino)propanoate has a molecular weight of 367.57 g/mol, XLogP of 5.54, 16 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tetradecyl (2S)-2-(cyclobutanecarbonylamino)propanoate is sourced from PubChem (CID 20836864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).