(2S)-2-amino-2-methyldec-8-ynoic acid

C11H19NO2 — CID 137350215

IUPAC(2S)-2-amino-2-methyldec-8-ynoic acid
SMILESCC#CCCCCC[C@](C)(N)C(=O)O
InChIInChI=1S/C11H19NO2/c1-3-4-5-6-7-8-9-11(2,12)10(13)14/h5-9,12H2,1-2H3,(H,13,14)/t11-/m0/s1
InChIKeyIEDCXEQAWYUWSL-NSHDSACASA-N
MW197.28 g/mol
LogP1.76
Rot. Bonds6

About (2S)-2-amino-2-methyldec-8-ynoic acid

(2S)-2-amino-2-methyldec-8-ynoic acid (PubChem CID 137350215) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is (2S)-2-amino-2-methyldec-8-ynoic acid.

Molecular Properties

Compound Name(2S)-2-amino-2-methyldec-8-ynoic acid
PubChem CID137350215
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name(2S)-2-amino-2-methyldec-8-ynoic acid
SMILESCC#CCCCCC[C@](C)(N)C(=O)O
InChIInChI=1S/C11H19NO2/c1-3-4-5-6-7-8-9-11(2,12)10(13)14/h5-9,12H2,1-2H3,(H,13,14)/t11-/m0/s1
InChIKeyIEDCXEQAWYUWSL-NSHDSACASA-N
XLogP1.76
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,7-diamino-2,7-dimethyloctanedioic acid
CID 18936054
2,8-diamino-2-methyloctanoic acid
CID 87814639
2-amino-6-hydroxy-2-methylhexanoic acid
CID 22000473
2,6-diamino-2-methylhexanoic acid
CID 3017540
2-amino-2-methyldec-9-enoic acid
CID 76833646
non-7-ynoic acid
CID 549239
octadeca-4,16-diynoic acid
CID 169448081
undeca-2,9-diyne
CID 13351096
(2S)-2-amino-6-borono-2-methylhexanoic acid
CID 53249972
acetic acid;oct-2-yne
CID 175336936
7-acetamido-2-amino-2-methylhept-5-ynoic acid
CID 72620891
dodec-10-ynyl acetate
CID 13135130

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-methyldec-8-ynoic acid?
The IUPAC name of (2S)-2-amino-2-methyldec-8-ynoic acid (CID 137350215) is (2S)-2-amino-2-methyldec-8-ynoic acid.
What is the SMILES notation for (2S)-2-amino-2-methyldec-8-ynoic acid?
The canonical SMILES for (2S)-2-amino-2-methyldec-8-ynoic acid is CC#CCCCCC[C@](C)(N)C(=O)O.
What is the InChIKey of (2S)-2-amino-2-methyldec-8-ynoic acid?
The InChIKey is IEDCXEQAWYUWSL-NSHDSACASA-N. The full InChI is InChI=1S/C11H19NO2/c1-3-4-5-6-7-8-9-11(2,12)10(13)14/h5-9,12H2,1-2H3,(H,13,14)/t11-/m0/s1.
What are the key properties of (2S)-2-amino-2-methyldec-8-ynoic acid?
(2S)-2-amino-2-methyldec-8-ynoic acid has a molecular weight of 197.28 g/mol, XLogP of 1.76, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-methyldec-8-ynoic acid is sourced from PubChem (CID 137350215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).