cyclododecyl (2R)-2-(cyclohexanecarbonylamino)propanoate

C22H39NO3 — CID 171355633

IUPACcyclododecyl (2R)-2-(cyclohexanecarbonylamino)propanoate
SMILESC[C@@H](NC(=O)C1CCCCC1)C(=O)OC1CCCCCCCCCCC1
InChIInChI=1S/C22H39NO3/c1-18(23-21(24)19-14-10-9-11-15-19)22(25)26-20-16-12-7-5-3-2-4-6-8-13-17-20/h18-20H,2-17H2,1H3,(H,23,24)/t18-/m1/s1
InChIKeyLAIXYDSPVMETAX-GOSISDBHSA-N
MW365.56 g/mol
LogP5.29
Rot. Bonds4

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

cyclododecyl (2R)-2-(cyclohexanecarbonylamino)propanoate (PubChem CID 171355633) has the molecular formula C22H39NO3 and a molecular weight of 365.56 g/mol. Its IUPAC name is cyclododecyl (2R)-2-(cyclohexanecarbonylamino)propanoate.

Molecular Properties

Compound Namecyclododecyl (2R)-2-(cyclohexanecarbonylamino)propanoate
PubChem CID171355633
Molecular FormulaC22H39NO3
Molecular Weight365.56 g/mol
Exact Mass365.29
IUPAC Namecyclododecyl (2R)-2-(cyclohexanecarbonylamino)propanoate
SMILESC[C@@H](NC(=O)C1CCCCC1)C(=O)OC1CCCCCCCCCCC1
InChIInChI=1S/C22H39NO3/c1-18(23-21(24)19-14-10-9-11-15-19)22(25)26-20-16-12-7-5-3-2-4-6-8-13-17-20/h18-20H,2-17H2,1H3,(H,23,24)/t18-/m1/s1
InChIKeyLAIXYDSPVMETAX-GOSISDBHSA-N
XLogP5.29
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.56
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cyclo[OAla-Thr(tBu)-D-OCha-D-Val-OAla-Val-D-OLeu-D-Val-OAla-Val-D-OLeu-D-Val]
CID 122177544
Emericellamide A
CID 16216151
Emericellamide B
CID 16216152
cyclo[OAla-Val-D-OCha-D-Val-OAla-Val-D-OCha-D-Val-OAla-Val-D-OCha-D-Val]
CID 122177539
ethyl N-[(4-methylcyclohexyl)carbonyl]isoleucylglycinate
CID 3245408
(S)-2-((R)-3-Amino-4-cyclohexyl-2-hydroxy-butyrylamino)-propionic acid ethyl ester
CID 9922371
(S)-2-((R)-3-Amino-5-cyclohexyl-2-hydroxy-pentanoylamino)-propionic acid ethyl ester
CID 44381689
(S)-2-((2S,3R)-3-Amino-4-cyclohexyl-2-hydroxy-butyrylamino)-propionic acid ethyl ester
CID 44381916
Isariin
CID 73424
cyclo[Ala-Val-ObAla(3-hexyl)-Gly-Val-D-Leu]
CID 44423143
CID 76323414
CID 76323414
Beauveriolide IV
CID 10202658

Frequently Asked Questions

What is the IUPAC name of cyclododecyl (2R)-2-(cyclohexanecarbonylamino)propanoate?
The IUPAC name of cyclododecyl (2R)-2-(cyclohexanecarbonylamino)propanoate (CID 171355633) is cyclododecyl (2R)-2-(cyclohexanecarbonylamino)propanoate.
What is the SMILES notation for cyclododecyl (2R)-2-(cyclohexanecarbonylamino)propanoate?
The canonical SMILES for cyclododecyl (2R)-2-(cyclohexanecarbonylamino)propanoate is C[C@@H](NC(=O)C1CCCCC1)C(=O)OC1CCCCCCCCCCC1.
What is the InChIKey of cyclododecyl (2R)-2-(cyclohexanecarbonylamino)propanoate?
The InChIKey is LAIXYDSPVMETAX-GOSISDBHSA-N. The full InChI is InChI=1S/C22H39NO3/c1-18(23-21(24)19-14-10-9-11-15-19)22(25)26-20-16-12-7-5-3-2-4-6-8-13-17-20/h18-20H,2-17H2,1H3,(H,23,24)/t18-/m1/s1.
What are the key properties of cyclododecyl (2R)-2-(cyclohexanecarbonylamino)propanoate?
cyclododecyl (2R)-2-(cyclohexanecarbonylamino)propanoate has a molecular weight of 365.56 g/mol, XLogP of 5.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclododecyl (2R)-2-(cyclohexanecarbonylamino)propanoate is sourced from PubChem (CID 171355633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).