methyl 2-aminononadecanoate

C20H41NO2 — CID 140839745

IUPACmethyl 2-aminononadecanoate
SMILESCCCCCCCCCCCCCCCCCC(N)C(=O)OC
InChIInChI=1S/C20H41NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(21)20(22)23-2/h19H,3-18,21H2,1-2H3
InChIKeyNCDSKEWZWXSALQ-UHFFFAOYSA-N
MW327.55 g/mol
LogP5.75
Rot. Bonds17

About methyl 2-aminononadecanoate

methyl 2-aminononadecanoate (PubChem CID 140839745) has the molecular formula C20H41NO2 and a molecular weight of 327.55 g/mol. Its IUPAC name is methyl 2-aminononadecanoate.

Molecular Properties

Compound Namemethyl 2-aminononadecanoate
PubChem CID140839745
Molecular FormulaC20H41NO2
Molecular Weight327.55 g/mol
Exact Mass327.31
IUPAC Namemethyl 2-aminononadecanoate
SMILESCCCCCCCCCCCCCCCCCC(N)C(=O)OC
InChIInChI=1S/C20H41NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(21)20(22)23-2/h19H,3-18,21H2,1-2H3
InChIKeyNCDSKEWZWXSALQ-UHFFFAOYSA-N
XLogP5.75
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.55
LogP ≤ 55.75
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 (Z)-2-aminooctadec-9-enoate
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methyl (Z)-2-aminohexadec-9-enoate
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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 2-aminononadecanoate?
The IUPAC name of methyl 2-aminononadecanoate (CID 140839745) is methyl 2-aminononadecanoate.
What is the SMILES notation for methyl 2-aminononadecanoate?
The canonical SMILES for methyl 2-aminononadecanoate is CCCCCCCCCCCCCCCCCC(N)C(=O)OC.
What is the InChIKey of methyl 2-aminononadecanoate?
The InChIKey is NCDSKEWZWXSALQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H41NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(21)20(22)23-2/h19H,3-18,21H2,1-2H3.
What are the key properties of methyl 2-aminononadecanoate?
methyl 2-aminononadecanoate has a molecular weight of 327.55 g/mol, XLogP of 5.75, 17 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-aminononadecanoate is sourced from PubChem (CID 140839745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).