9-amino-2-(2-methylprop-2-enoyl)nonanoic acid

C13H23NO3 — CID 118576620

IUPAC9-amino-2-(2-methylprop-2-enoyl)nonanoic acid
SMILESC=C(C)C(=O)C(CCCCCCCN)C(=O)O
InChIInChI=1S/C13H23NO3/c1-10(2)12(15)11(13(16)17)8-6-4-3-5-7-9-14/h11H,1,3-9,14H2,2H3,(H,16,17)
InChIKeyNUXBFODAZOPYJU-UHFFFAOYSA-N
MW241.33 g/mol
LogP2.13
Rot. Bonds10

About 9-amino-2-(2-methylprop-2-enoyl)nonanoic acid

9-amino-2-(2-methylprop-2-enoyl)nonanoic acid (PubChem CID 118576620) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is 9-amino-2-(2-methylprop-2-enoyl)nonanoic acid.

Molecular Properties

Compound Name9-amino-2-(2-methylprop-2-enoyl)nonanoic acid
PubChem CID118576620
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Name9-amino-2-(2-methylprop-2-enoyl)nonanoic acid
SMILESC=C(C)C(=O)C(CCCCCCCN)C(=O)O
InChIInChI=1S/C13H23NO3/c1-10(2)12(15)11(13(16)17)8-6-4-3-5-7-9-14/h11H,1,3-9,14H2,2H3,(H,16,17)
InChIKeyNUXBFODAZOPYJU-UHFFFAOYSA-N
XLogP2.13
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-(11-aminoundecyl)propanedioic acid
CID 87187189
2-(7-aminoheptyl)propanedioic acid
CID 90276909
3-(10-aminodecyl)pentane-2,4-dione
CID 71337648
2,6-diaminohexanoic acid;2-methylprop-2-enoic acid
CID 118275559
2-[10-(2-methylprop-2-enoyloxy)decyl]propanedioic acid
CID 14453192
12-aminododecan-1-ol;2-methylprop-2-enoic acid
CID 175402226
hexane-1,6-diamine;2-methylpropanoic acid
CID 21426939
(2S)-2,6-diaminohexanoic acid;pentane-1,5-diamine
CID 87328180
2,13-diaminotridecanoic acid
CID 141414897
1,5-diamino-3-(11-aminoundecyl)pentane-2,4-dione
CID 175384994
(2R)-7-amino-2-hydroxyheptanoic acid
CID 144842569
(2R)-6-amino-2-methylhexanoic acid
CID 92976969

Frequently Asked Questions

What is the IUPAC name of 9-amino-2-(2-methylprop-2-enoyl)nonanoic acid?
The IUPAC name of 9-amino-2-(2-methylprop-2-enoyl)nonanoic acid (CID 118576620) is 9-amino-2-(2-methylprop-2-enoyl)nonanoic acid.
What is the SMILES notation for 9-amino-2-(2-methylprop-2-enoyl)nonanoic acid?
The canonical SMILES for 9-amino-2-(2-methylprop-2-enoyl)nonanoic acid is C=C(C)C(=O)C(CCCCCCCN)C(=O)O.
What is the InChIKey of 9-amino-2-(2-methylprop-2-enoyl)nonanoic acid?
The InChIKey is NUXBFODAZOPYJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-10(2)12(15)11(13(16)17)8-6-4-3-5-7-9-14/h11H,1,3-9,14H2,2H3,(H,16,17).
What are the key properties of 9-amino-2-(2-methylprop-2-enoyl)nonanoic acid?
9-amino-2-(2-methylprop-2-enoyl)nonanoic acid has a molecular weight of 241.33 g/mol, XLogP of 2.13, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-amino-2-(2-methylprop-2-enoyl)nonanoic acid is sourced from PubChem (CID 118576620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).