pentadecan-8-yl (2R)-2-aminopropanoate

C18H37NO2 — CID 174065713

IUPACpentadecan-8-yl (2R)-2-aminopropanoate
SMILESCCCCCCCC(CCCCCCC)OC(=O)[C@@H](C)N
InChIInChI=1S/C18H37NO2/c1-4-6-8-10-12-14-17(21-18(20)16(3)19)15-13-11-9-7-5-2/h16-17H,4-15,19H2,1-3H3/t16-/m1/s1
InChIKeyFENUPNOVXIETFV-MRXNPFEDSA-N
MW299.50 g/mol
LogP4.97
Rot. Bonds14

About pentadecan-8-yl (2R)-2-aminopropanoate

pentadecan-8-yl (2R)-2-aminopropanoate (PubChem CID 174065713) has the molecular formula C18H37NO2 and a molecular weight of 299.50 g/mol. Its IUPAC name is pentadecan-8-yl (2R)-2-aminopropanoate.

Molecular Properties

Compound Namepentadecan-8-yl (2R)-2-aminopropanoate
PubChem CID174065713
Molecular FormulaC18H37NO2
Molecular Weight299.50 g/mol
Exact Mass299.28
IUPAC Namepentadecan-8-yl (2R)-2-aminopropanoate
SMILESCCCCCCCC(CCCCCCC)OC(=O)[C@@H](C)N
InChIInChI=1S/C18H37NO2/c1-4-6-8-10-12-14-17(21-18(20)16(3)19)15-13-11-9-7-5-2/h16-17H,4-15,19H2,1-3H3/t16-/m1/s1
InChIKeyFENUPNOVXIETFV-MRXNPFEDSA-N
XLogP4.97
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.50
LogP ≤ 54.97
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

icosan-9-yl 2-aminopropanoate
CID 18625140
nonan-3-yl 2-methylpropanoate
CID 141408471
hexacosan-8-yl hydrogen carbonate
CID 87300461
heptadecan-9-yl hydrogen carbonate
CID 18183422
heptacosan-14-yl hydrogen carbonate
CID 87148310
icosan-10-yl hydrogen carbonate
CID 151448549
tricosan-7-yl hydrogen carbonate
CID 87300503
ethanesulfonic acid;tetracosan-11-yl (2S,3S)-2-amino-3-methylpentanoate
CID 175817477
ethanesulfonic acid;icosan-9-yl (2S,3S)-2-amino-3-methylpentanoate
CID 175817785
nonadecan-5-yl 2-chloropentanoate
CID 172761780
octadecan-7-yl propanoate
CID 87732278
tetradecan-6-yl propanoate
CID 15483723

Frequently Asked Questions

What is the IUPAC name of pentadecan-8-yl (2R)-2-aminopropanoate?
The IUPAC name of pentadecan-8-yl (2R)-2-aminopropanoate (CID 174065713) is pentadecan-8-yl (2R)-2-aminopropanoate.
What is the SMILES notation for pentadecan-8-yl (2R)-2-aminopropanoate?
The canonical SMILES for pentadecan-8-yl (2R)-2-aminopropanoate is CCCCCCCC(CCCCCCC)OC(=O)[C@@H](C)N.
What is the InChIKey of pentadecan-8-yl (2R)-2-aminopropanoate?
The InChIKey is FENUPNOVXIETFV-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H37NO2/c1-4-6-8-10-12-14-17(21-18(20)16(3)19)15-13-11-9-7-5-2/h16-17H,4-15,19H2,1-3H3/t16-/m1/s1.
What are the key properties of pentadecan-8-yl (2R)-2-aminopropanoate?
pentadecan-8-yl (2R)-2-aminopropanoate has a molecular weight of 299.50 g/mol, XLogP of 4.97, 14 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pentadecan-8-yl (2R)-2-aminopropanoate is sourced from PubChem (CID 174065713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).