(1S)-1-amino-2-hydroxycyclohexane-1-carboxylic acid

C7H13NO3 — CID 15813568

IUPAC(1S)-1-amino-2-hydroxycyclohexane-1-carboxylic acid
SMILESN[C@@]1(C(=O)O)CCCCC1O
InChIInChI=1S/C7H13NO3/c8-7(6(10)11)4-2-1-3-5(7)9/h5,9H,1-4,8H2,(H,10,11)/t5?,7-/m0/s1
InChIKeyHKGFWUMHFPBUDO-MSZQBOFLSA-N
MW159.18 g/mol
LogP-0.30
Rot. Bonds1

About (1S)-1-amino-2-hydroxycyclohexane-1-carboxylic acid

(1S)-1-amino-2-hydroxycyclohexane-1-carboxylic acid (PubChem CID 15813568) has the molecular formula C7H13NO3 and a molecular weight of 159.18 g/mol. Its IUPAC name is (1S)-1-amino-2-hydroxycyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name(1S)-1-amino-2-hydroxycyclohexane-1-carboxylic acid
PubChem CID15813568
Molecular FormulaC7H13NO3
Molecular Weight159.18 g/mol
Exact Mass159.09
IUPAC Name(1S)-1-amino-2-hydroxycyclohexane-1-carboxylic acid
SMILESN[C@@]1(C(=O)O)CCCCC1O
InChIInChI=1S/C7H13NO3/c8-7(6(10)11)4-2-1-3-5(7)9/h5,9H,1-4,8H2,(H,10,11)/t5?,7-/m0/s1
InChIKeyHKGFWUMHFPBUDO-MSZQBOFLSA-N
XLogP-0.30
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.18
LogP ≤ 5-0.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-fluoro-2-hydroxycyclohexane-1-carboxylic acid
CID 19783093
(1R,2R,6S)-2-aminobicyclo[4.1.0]heptane-2-carboxylic acid
CID 124709963
1-amino-2-propylcyclohexane-1-carboxylic acid
CID 121281708
1-aminocyclopentane-1,2-dicarboxylic acid;azane
CID 54610731
trans-(1R,2S)-1-amino-2-phenylcycloheptane-1-carboxylic acid
CID 34176616
(5R,11S)-spiro[5.5]undecane-5,11-diol
CID 10997722
2-amino-1,3,3a,4,5,6,7,7a-octahydroindene-2-carboxylic acid
CID 83906747
(3aS,4R,7aR)-4-amino-1,2,3,3a,5,6,7,7a-octahydroisoindole-4-carboxylic acid
CID 124709806
(4S,5R,10R)-spiro[4.5]decane-4,10-diol
CID 14934378
1-aminocyclopentane-1-carboxylic acid
CID 2901
(4S,5R)-spiro[4.5]decane-4,10-diol
CID 135069767
cis-(1R,2R)-1-amino-2-methoxycyclopentane-1-carboxylic acid
CID 102073305

Frequently Asked Questions

What is the IUPAC name of (1S)-1-amino-2-hydroxycyclohexane-1-carboxylic acid?
The IUPAC name of (1S)-1-amino-2-hydroxycyclohexane-1-carboxylic acid (CID 15813568) is (1S)-1-amino-2-hydroxycyclohexane-1-carboxylic acid.
What is the SMILES notation for (1S)-1-amino-2-hydroxycyclohexane-1-carboxylic acid?
The canonical SMILES for (1S)-1-amino-2-hydroxycyclohexane-1-carboxylic acid is N[C@@]1(C(=O)O)CCCCC1O.
What is the InChIKey of (1S)-1-amino-2-hydroxycyclohexane-1-carboxylic acid?
The InChIKey is HKGFWUMHFPBUDO-MSZQBOFLSA-N. The full InChI is InChI=1S/C7H13NO3/c8-7(6(10)11)4-2-1-3-5(7)9/h5,9H,1-4,8H2,(H,10,11)/t5?,7-/m0/s1.
What are the key properties of (1S)-1-amino-2-hydroxycyclohexane-1-carboxylic acid?
(1S)-1-amino-2-hydroxycyclohexane-1-carboxylic acid has a molecular weight of 159.18 g/mol, XLogP of -0.30, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-amino-2-hydroxycyclohexane-1-carboxylic acid is sourced from PubChem (CID 15813568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).