tridecyl (2S)-2-(cyclopentanecarbonylamino)propanoate

C22H41NO3 — CID 20836982

IUPACtridecyl (2S)-2-(cyclopentanecarbonylamino)propanoate
SMILESCCCCCCCCCCCCCOC(=O)[C@H](C)NC(=O)C1CCCC1
InChIInChI=1S/C22H41NO3/c1-3-4-5-6-7-8-9-10-11-12-15-18-26-22(25)19(2)23-21(24)20-16-13-14-17-20/h19-20H,3-18H2,1-2H3,(H,23,24)/t19-/m0/s1
InChIKeyNDLJUWXQCCMDFJ-IBGZPJMESA-N
MW367.57 g/mol
LogP5.54
Rot. Bonds15

About tridecyl (2S)-2-(cyclopentanecarbonylamino)propanoate

tridecyl (2S)-2-(cyclopentanecarbonylamino)propanoate (PubChem CID 20836982) has the molecular formula C22H41NO3 and a molecular weight of 367.57 g/mol. Its IUPAC name is tridecyl (2S)-2-(cyclopentanecarbonylamino)propanoate.

Molecular Properties

Compound Nametridecyl (2S)-2-(cyclopentanecarbonylamino)propanoate
PubChem CID20836982
Molecular FormulaC22H41NO3
Molecular Weight367.57 g/mol
Exact Mass367.31
IUPAC Nametridecyl (2S)-2-(cyclopentanecarbonylamino)propanoate
SMILESCCCCCCCCCCCCCOC(=O)[C@H](C)NC(=O)C1CCCC1
InChIInChI=1S/C22H41NO3/c1-3-4-5-6-7-8-9-10-11-12-15-18-26-22(25)19(2)23-21(24)20-16-13-14-17-20/h19-20H,3-18H2,1-2H3,(H,23,24)/t19-/m0/s1
InChIKeyNDLJUWXQCCMDFJ-IBGZPJMESA-N
XLogP5.54
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds15
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'}

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Related Compounds

heptyl 2-(cyclohexanecarbonylamino)propanoate
CID 6420545
tetradecyl (2S)-2-(cyclobutanecarbonylamino)propanoate
CID 20836864
pentyl (2S)-2-(cyclohexanecarbonylamino)propanoate
CID 20836661
tridecyl (2S)-2-(cyclobutanecarbonylamino)propanoate
CID 20836869
ethyl 2-(cyclopropanecarbonylamino)propanoate
CID 58636709
ethyl (2S)-2-[[(1R,3S)-3-[[(2S)-1-ethoxy-1-oxopropan-2-yl]carbamoyl]cyclohexanecarbonyl]amino]propanoate
CID 52517363
heptadecyl (2S)-2-(butoxycarbonylamino)propanoate
CID 20837023
dodecyl (2S)-2-(methoxycarbonylamino)propanoate
CID 20836777
N-heptan-2-ylcyclopentanecarboxamide
CID 5012700
nonyl cyclopentanecarboxylate
CID 575427
tetradecyl 2-(propoxycarbonylamino)propanoate
CID 6422780
hexyl 2-(pentanoylamino)propanoate
CID 6420522

Frequently Asked Questions

What is the IUPAC name of tridecyl (2S)-2-(cyclopentanecarbonylamino)propanoate?
The IUPAC name of tridecyl (2S)-2-(cyclopentanecarbonylamino)propanoate (CID 20836982) is tridecyl (2S)-2-(cyclopentanecarbonylamino)propanoate.
What is the SMILES notation for tridecyl (2S)-2-(cyclopentanecarbonylamino)propanoate?
The canonical SMILES for tridecyl (2S)-2-(cyclopentanecarbonylamino)propanoate is CCCCCCCCCCCCCOC(=O)[C@H](C)NC(=O)C1CCCC1.
What is the InChIKey of tridecyl (2S)-2-(cyclopentanecarbonylamino)propanoate?
The InChIKey is NDLJUWXQCCMDFJ-IBGZPJMESA-N. The full InChI is InChI=1S/C22H41NO3/c1-3-4-5-6-7-8-9-10-11-12-15-18-26-22(25)19(2)23-21(24)20-16-13-14-17-20/h19-20H,3-18H2,1-2H3,(H,23,24)/t19-/m0/s1.
What are the key properties of tridecyl (2S)-2-(cyclopentanecarbonylamino)propanoate?
tridecyl (2S)-2-(cyclopentanecarbonylamino)propanoate has a molecular weight of 367.57 g/mol, XLogP of 5.54, 15 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tridecyl (2S)-2-(cyclopentanecarbonylamino)propanoate is sourced from PubChem (CID 20836982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).