2-aminoundecanoic acid;2-methylprop-2-enamide

C15H30N2O3 — CID 157268001

IUPAC2-aminoundecanoic acid;2-methylprop-2-enamide
SMILESC=C(C)C(N)=O.CCCCCCCCCC(N)C(=O)O
InChIInChI=1S/C11H23NO2.C4H7NO/c1-2-3-4-5-6-7-8-9-10(12)11(13)14;1-3(2)4(5)6/h10H,2-9,12H2,1H3,(H,13,14);1H2,2H3,(H2,5,6)
InChIKeyAYFDHPNMPGBIBT-UHFFFAOYSA-N
MW286.42 g/mol
LogP2.59
Rot. Bonds10

About 2-aminoundecanoic acid;2-methylprop-2-enamide

2-aminoundecanoic acid;2-methylprop-2-enamide (PubChem CID 157268001) has the molecular formula C15H30N2O3 and a molecular weight of 286.42 g/mol. Its IUPAC name is 2-aminoundecanoic acid;2-methylprop-2-enamide.

Molecular Properties

Compound Name2-aminoundecanoic acid;2-methylprop-2-enamide
PubChem CID157268001
Molecular FormulaC15H30N2O3
Molecular Weight286.42 g/mol
Exact Mass286.23
IUPAC Name2-aminoundecanoic acid;2-methylprop-2-enamide
SMILESC=C(C)C(N)=O.CCCCCCCCCC(N)C(=O)O
InChIInChI=1S/C11H23NO2.C4H7NO/c1-2-3-4-5-6-7-8-9-10(12)11(13)14;1-3(2)4(5)6/h10H,2-9,12H2,1H3,(H,13,14);1H2,2H3,(H2,5,6)
InChIKeyAYFDHPNMPGBIBT-UHFFFAOYSA-N
XLogP2.59
TPSA106.41 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-aminopentacosanoic acid
CID 158815459
2-aminotetracosanoic acid
CID 88730229
(2S)-2-aminododecanoic acid
CID 10560640
2-aminohexadecanoic acid;azane
CID 175267671
sodium;(2S)-2-aminotridecanoic acid;hydride
CID 174527444
dodecane;bis(2-methylprop-2-enamide)
CID 87149534
2-aminodecanoic acid;prop-2-enoic acid
CID 160700626
2-amino-9-methyl-8-methylidenedec-9-enoic acid
CID 147476332
(2S)-2-aminohexanoic acid;dihydrochloride
CID 142770522
2,6-diaminohexanoic acid;dodecanamide
CID 87964138
(2R,8R)-2,8-diaminononanedioic acid
CID 6994849
(2S)-2-aminohexanoic acid;(2R)-2-aminopentanoic acid
CID 158530553

Frequently Asked Questions

What is the IUPAC name of 2-aminoundecanoic acid;2-methylprop-2-enamide?
The IUPAC name of 2-aminoundecanoic acid;2-methylprop-2-enamide (CID 157268001) is 2-aminoundecanoic acid;2-methylprop-2-enamide.
What is the SMILES notation for 2-aminoundecanoic acid;2-methylprop-2-enamide?
The canonical SMILES for 2-aminoundecanoic acid;2-methylprop-2-enamide is C=C(C)C(N)=O.CCCCCCCCCC(N)C(=O)O.
What is the InChIKey of 2-aminoundecanoic acid;2-methylprop-2-enamide?
The InChIKey is AYFDHPNMPGBIBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2.C4H7NO/c1-2-3-4-5-6-7-8-9-10(12)11(13)14;1-3(2)4(5)6/h10H,2-9,12H2,1H3,(H,13,14);1H2,2H3,(H2,5,6).
What are the key properties of 2-aminoundecanoic acid;2-methylprop-2-enamide?
2-aminoundecanoic acid;2-methylprop-2-enamide has a molecular weight of 286.42 g/mol, XLogP of 2.59, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoundecanoic acid;2-methylprop-2-enamide is sourced from PubChem (CID 157268001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).