(2S)-2-amino-3-(cyclohexen-1-yl)-3-hydroxypropanoic acid

C9H15NO3 — CID 68985883

IUPAC(2S)-2-amino-3-(cyclohexen-1-yl)-3-hydroxypropanoic acid
SMILESN[C@H](C(=O)O)C(O)C1=CCCCC1
InChIInChI=1S/C9H15NO3/c10-7(9(12)13)8(11)6-4-2-1-3-5-6/h4,7-8,11H,1-3,5,10H2,(H,12,13)/t7-,8?/m0/s1
InChIKeyNCFKEJGVVJTMMR-JAMMHHFISA-N
MW185.22 g/mol
LogP0.26
Rot. Bonds3

About (2S)-2-amino-3-(cyclohexen-1-yl)-3-hydroxypropanoic acid

(2S)-2-amino-3-(cyclohexen-1-yl)-3-hydroxypropanoic acid (PubChem CID 68985883) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is (2S)-2-amino-3-(cyclohexen-1-yl)-3-hydroxypropanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-(cyclohexen-1-yl)-3-hydroxypropanoic acid
PubChem CID68985883
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Name(2S)-2-amino-3-(cyclohexen-1-yl)-3-hydroxypropanoic acid
SMILESN[C@H](C(=O)O)C(O)C1=CCCCC1
InChIInChI=1S/C9H15NO3/c10-7(9(12)13)8(11)6-4-2-1-3-5-6/h4,7-8,11H,1-3,5,10H2,(H,12,13)/t7-,8?/m0/s1
InChIKeyNCFKEJGVVJTMMR-JAMMHHFISA-N
XLogP0.26
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 50.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

cyclohexen-1-ylmethanediol
CID 21392290
1-(cyclohexen-1-yl)-2,2-diphenylethanol
CID 107292880
cyclohexen-1-yl(cyclopenten-1-yl)methanol
CID 19798316
ethyl 2-[(1E)-cyclododecen-1-yl]-2-hydroxyacetate
CID 165457413
3-(cycloocten-1-yl)butanoic acid
CID 154246117
1-(cyclohexen-1-yl)ethane-1,2-diol
CID 10964616
2-amino-1-(cyclohexen-1-yl)-2-methylpropan-1-ol
CID 130589356
ethyl (2R)-3-(cyclohexen-1-yl)-2-hydroxybutanoate
CID 101090880
ethyl 2-(cyclododecen-1-yl)propanoate
CID 57035955
ethyl 2-[(1E)-cyclodecen-1-yl]propanoate
CID 15353405
ethyl 2-(cyclohepten-1-yl)propanoate
CID 15353402
6-bicyclo[3.1.0]hexanyl(cycloocten-1-yl)methanol
CID 106657681

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(cyclohexen-1-yl)-3-hydroxypropanoic acid?
The IUPAC name of (2S)-2-amino-3-(cyclohexen-1-yl)-3-hydroxypropanoic acid (CID 68985883) is (2S)-2-amino-3-(cyclohexen-1-yl)-3-hydroxypropanoic acid.
What is the SMILES notation for (2S)-2-amino-3-(cyclohexen-1-yl)-3-hydroxypropanoic acid?
The canonical SMILES for (2S)-2-amino-3-(cyclohexen-1-yl)-3-hydroxypropanoic acid is N[C@H](C(=O)O)C(O)C1=CCCCC1.
What is the InChIKey of (2S)-2-amino-3-(cyclohexen-1-yl)-3-hydroxypropanoic acid?
The InChIKey is NCFKEJGVVJTMMR-JAMMHHFISA-N. The full InChI is InChI=1S/C9H15NO3/c10-7(9(12)13)8(11)6-4-2-1-3-5-6/h4,7-8,11H,1-3,5,10H2,(H,12,13)/t7-,8?/m0/s1.
What are the key properties of (2S)-2-amino-3-(cyclohexen-1-yl)-3-hydroxypropanoic acid?
(2S)-2-amino-3-(cyclohexen-1-yl)-3-hydroxypropanoic acid has a molecular weight of 185.22 g/mol, XLogP of 0.26, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-(cyclohexen-1-yl)-3-hydroxypropanoic acid is sourced from PubChem (CID 68985883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).