methyl (2S)-2-aminotridecanoate

C14H29NO2 — CID 88583666

IUPACmethyl (2S)-2-aminotridecanoate
SMILESCCCCCCCCCCC[C@H](N)C(=O)OC
InChIInChI=1S/C14H29NO2/c1-3-4-5-6-7-8-9-10-11-12-13(15)14(16)17-2/h13H,3-12,15H2,1-2H3/t13-/m0/s1
InChIKeyOJSWIBVDDSEUCM-ZDUSSCGKSA-N
MW243.39 g/mol
LogP3.41
Rot. Bonds11

About methyl (2S)-2-aminotridecanoate

methyl (2S)-2-aminotridecanoate (PubChem CID 88583666) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is methyl (2S)-2-aminotridecanoate.

Molecular Properties

Compound Namemethyl (2S)-2-aminotridecanoate
PubChem CID88583666
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC Namemethyl (2S)-2-aminotridecanoate
SMILESCCCCCCCCCCC[C@H](N)C(=O)OC
InChIInChI=1S/C14H29NO2/c1-3-4-5-6-7-8-9-10-11-12-13(15)14(16)17-2/h13H,3-12,15H2,1-2H3/t13-/m0/s1
InChIKeyOJSWIBVDDSEUCM-ZDUSSCGKSA-N
XLogP3.41
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 53.41
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

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methyl (2S)-2-aminohexanoate
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methyl (Z)-2-aminohexadec-9-enoate
CID 150010040
methyl (2S)-2-aminooctanoate;2,2,2-trifluoroacetic acid
CID 25131812
methyl (2S)-2,6-diamino-7-oxoicosanoate
CID 163979090
methyl (E)-2-aminododec-6-enoate
CID 175078394
methyl 2-amino-4-heptoxybutanoate
CID 63039834
amino 2-aminododecanoate
CID 174504612
methyl 2-aminopentanoate
CID 533890
1-O-methyl 5-O-tetradecanoyl 2-aminopentanedioate
CID 135151678

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-aminotridecanoate?
The IUPAC name of methyl (2S)-2-aminotridecanoate (CID 88583666) is methyl (2S)-2-aminotridecanoate.
What is the SMILES notation for methyl (2S)-2-aminotridecanoate?
The canonical SMILES for methyl (2S)-2-aminotridecanoate is CCCCCCCCCCC[C@H](N)C(=O)OC.
What is the InChIKey of methyl (2S)-2-aminotridecanoate?
The InChIKey is OJSWIBVDDSEUCM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H29NO2/c1-3-4-5-6-7-8-9-10-11-12-13(15)14(16)17-2/h13H,3-12,15H2,1-2H3/t13-/m0/s1.
What are the key properties of methyl (2S)-2-aminotridecanoate?
methyl (2S)-2-aminotridecanoate has a molecular weight of 243.39 g/mol, XLogP of 3.41, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-aminotridecanoate is sourced from PubChem (CID 88583666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).