5-[(2S,3S)-2-amino-3-hydroxycyclohexyl]pentanoic acid

C11H21NO3 — CID 57307550

IUPAC5-[(2S,3S)-2-amino-3-hydroxycyclohexyl]pentanoic acid
SMILESN[C@H]1C(CCCCC(=O)O)CCC[C@@H]1O
InChIInChI=1S/C11H21NO3/c12-11-8(5-3-6-9(11)13)4-1-2-7-10(14)15/h8-9,11,13H,1-7,12H2,(H,14,15)/t8?,9-,11-/m0/s1
InChIKeyFOCHIPAVKLTFNQ-PCFYAGROSA-N
MW215.29 g/mol
LogP1.12
Rot. Bonds5

About 5-[(2S,3S)-2-amino-3-hydroxycyclohexyl]pentanoic acid

5-[(2S,3S)-2-amino-3-hydroxycyclohexyl]pentanoic acid (PubChem CID 57307550) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is 5-[(2S,3S)-2-amino-3-hydroxycyclohexyl]pentanoic acid.

Molecular Properties

Compound Name5-[(2S,3S)-2-amino-3-hydroxycyclohexyl]pentanoic acid
PubChem CID57307550
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name5-[(2S,3S)-2-amino-3-hydroxycyclohexyl]pentanoic acid
SMILESN[C@H]1C(CCCCC(=O)O)CCC[C@@H]1O
InChIInChI=1S/C11H21NO3/c12-11-8(5-3-6-9(11)13)4-1-2-7-10(14)15/h8-9,11,13H,1-7,12H2,(H,14,15)/t8?,9-,11-/m0/s1
InChIKeyFOCHIPAVKLTFNQ-PCFYAGROSA-N
XLogP1.12
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(2-amino-3-hydroxycyclohexyl)butanoic acid
CID 163221531
5-(2-aminocyclopentyl)pentanoic acid
CID 163221565
13-(2-sulfanylcyclopentyl)tridecanoic acid
CID 87483941
5-(2-amino-4,4-difluoro-3-hydroxycyclohexyl)pentanoic acid
CID 70065108
5-[(2-hydroxycyclopentyl)methylamino]pentanoic acid
CID 103255157
8-cyclobutyloctanoic acid
CID 72551210
5-[2-(5-methoxy-5-oxopentyl)cyclohexyl]pentanoic acid
CID 176900201
3-(2-octylcyclopentyl)propanoic acid
CID 57357948
acetic acid;2-pentylcyclopentan-1-ol
CID 71231001
5-[(2S,3S,4R)-3-amino-4-(15N)azanylthiolan-2-yl]pentanoic acid
CID 10104842
7-[(1S,2R)-2-(4-hydroxyoctyl)cyclopentyl]heptanoic acid
CID 22788958
7-[(1S,2R)-2-(4,4-dimethyloctyl)cyclopentyl]heptanoic acid
CID 18594595

Frequently Asked Questions

What is the IUPAC name of 5-[(2S,3S)-2-amino-3-hydroxycyclohexyl]pentanoic acid?
The IUPAC name of 5-[(2S,3S)-2-amino-3-hydroxycyclohexyl]pentanoic acid (CID 57307550) is 5-[(2S,3S)-2-amino-3-hydroxycyclohexyl]pentanoic acid.
What is the SMILES notation for 5-[(2S,3S)-2-amino-3-hydroxycyclohexyl]pentanoic acid?
The canonical SMILES for 5-[(2S,3S)-2-amino-3-hydroxycyclohexyl]pentanoic acid is N[C@H]1C(CCCCC(=O)O)CCC[C@@H]1O.
What is the InChIKey of 5-[(2S,3S)-2-amino-3-hydroxycyclohexyl]pentanoic acid?
The InChIKey is FOCHIPAVKLTFNQ-PCFYAGROSA-N. The full InChI is InChI=1S/C11H21NO3/c12-11-8(5-3-6-9(11)13)4-1-2-7-10(14)15/h8-9,11,13H,1-7,12H2,(H,14,15)/t8?,9-,11-/m0/s1.
What are the key properties of 5-[(2S,3S)-2-amino-3-hydroxycyclohexyl]pentanoic acid?
5-[(2S,3S)-2-amino-3-hydroxycyclohexyl]pentanoic acid has a molecular weight of 215.29 g/mol, XLogP of 1.12, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2S,3S)-2-amino-3-hydroxycyclohexyl]pentanoic acid is sourced from PubChem (CID 57307550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).