2-[[(Z)-18-methylnonadec-9-enyl]amino]acetic acid

C22H43NO2 — CID 135241938

IUPAC2-[[(Z)-18-methylnonadec-9-enyl]amino]acetic acid
SMILESCC(C)CCCCCCC/C=C\CCCCCCCCNCC(=O)O
InChIInChI=1S/C22H43NO2/c1-21(2)18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19-23-20-22(24)25/h3-4,21,23H,5-20H2,1-2H3,(H,24,25)/b4-3-
InChIKeyHJQAVHZXECPXSH-ARJAWSKDSA-N
MW353.59 g/mol
LogP6.33
Rot. Bonds19

About 2-[[(Z)-18-methylnonadec-9-enyl]amino]acetic acid

2-[[(Z)-18-methylnonadec-9-enyl]amino]acetic acid (PubChem CID 135241938) has the molecular formula C22H43NO2 and a molecular weight of 353.59 g/mol. Its IUPAC name is 2-[[(Z)-18-methylnonadec-9-enyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[(Z)-18-methylnonadec-9-enyl]amino]acetic acid
PubChem CID135241938
Molecular FormulaC22H43NO2
Molecular Weight353.59 g/mol
Exact Mass353.33
IUPAC Name2-[[(Z)-18-methylnonadec-9-enyl]amino]acetic acid
SMILESCC(C)CCCCCCC/C=C\CCCCCCCCNCC(=O)O
InChIInChI=1S/C22H43NO2/c1-21(2)18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19-23-20-22(24)25/h3-4,21,23H,5-20H2,1-2H3,(H,24,25)/b4-3-
InChIKeyHJQAVHZXECPXSH-ARJAWSKDSA-N
XLogP6.33
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.59
LogP ≤ 56.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[[(Z)-18-methylnonadec-9-enyl]amino]acetic acid;hydrate
CID 170842960
(Z)-16-methylheptadec-8-enoic acid
CID 10731639
24-methylpentacos-9-enoic acid
CID 57190789
17-methyloctadeca-5,9-dienoic acid
CID 75955144
(5E,9E)-15-methylhexadeca-5,9-dienoic acid
CID 20847618
3-(12-methyltridecylamino)propanoic acid
CID 168911693
7-methyl-N-(7-methyloctyl)octan-1-amine;7-methyloctanoic acid
CID 172838661
(Z)-13,17,21,25-tetramethylhexacos-5-enoic acid
CID 52929822
2-(octadeca-9,12-dienylamino)acetic acid
CID 54420712
N,5-dimethylhexan-1-amine;18-oxooctadecanoic acid
CID 177324861
(5Z,8Z)-14-methylpentadeca-5,8-dienoic acid
CID 168749471
(E)-2,15-dimethylhexadec-8-ene
CID 176630932

Frequently Asked Questions

What is the IUPAC name of 2-[[(Z)-18-methylnonadec-9-enyl]amino]acetic acid?
The IUPAC name of 2-[[(Z)-18-methylnonadec-9-enyl]amino]acetic acid (CID 135241938) is 2-[[(Z)-18-methylnonadec-9-enyl]amino]acetic acid.
What is the SMILES notation for 2-[[(Z)-18-methylnonadec-9-enyl]amino]acetic acid?
The canonical SMILES for 2-[[(Z)-18-methylnonadec-9-enyl]amino]acetic acid is CC(C)CCCCCCC/C=C\CCCCCCCCNCC(=O)O.
What is the InChIKey of 2-[[(Z)-18-methylnonadec-9-enyl]amino]acetic acid?
The InChIKey is HJQAVHZXECPXSH-ARJAWSKDSA-N. The full InChI is InChI=1S/C22H43NO2/c1-21(2)18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19-23-20-22(24)25/h3-4,21,23H,5-20H2,1-2H3,(H,24,25)/b4-3-.
What are the key properties of 2-[[(Z)-18-methylnonadec-9-enyl]amino]acetic acid?
2-[[(Z)-18-methylnonadec-9-enyl]amino]acetic acid has a molecular weight of 353.59 g/mol, XLogP of 6.33, 19 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(Z)-18-methylnonadec-9-enyl]amino]acetic acid is sourced from PubChem (CID 135241938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).