methyl 3-[[(1S,2S)-2-hydroxycyclohexyl]amino]propanoate

C10H19NO3 — CID 102731054

IUPACmethyl 3-[[(1S,2S)-2-hydroxycyclohexyl]amino]propanoate
SMILESCOC(=O)CCN[C@H]1CCCC[C@@H]1O
InChIInChI=1S/C10H19NO3/c1-14-10(13)6-7-11-8-4-2-3-5-9(8)12/h8-9,11-12H,2-7H2,1H3/t8-,9-/m0/s1
InChIKeyQJIXKHKZBVCQEG-IUCAKERBSA-N
MW201.27 g/mol
LogP0.44
Rot. Bonds4

About methyl 3-[[(1S,2S)-2-hydroxycyclohexyl]amino]propanoate

methyl 3-[[(1S,2S)-2-hydroxycyclohexyl]amino]propanoate (PubChem CID 102731054) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is methyl 3-[[(1S,2S)-2-hydroxycyclohexyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[[(1S,2S)-2-hydroxycyclohexyl]amino]propanoate
PubChem CID102731054
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Namemethyl 3-[[(1S,2S)-2-hydroxycyclohexyl]amino]propanoate
SMILESCOC(=O)CCN[C@H]1CCCC[C@@H]1O
InChIInChI=1S/C10H19NO3/c1-14-10(13)6-7-11-8-4-2-3-5-9(8)12/h8-9,11-12H,2-7H2,1H3/t8-,9-/m0/s1
InChIKeyQJIXKHKZBVCQEG-IUCAKERBSA-N
XLogP0.44
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl 3-[[(1S,2S)-2-hydroxycyclohexyl]amino]propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl 3-[(2-hydroxycyclohexyl)amino]propanoate
CID 103249866
3-[[(1R,2R)-2-hydroxycyclohexyl]amino]propanamide
CID 93346245
3-[[(1S,2S)-2-hydroxycyclohexyl]amino]-N,N-dimethylpropanamide
CID 102731154
methyl 3-[(2,3-dimethylcyclohexyl)amino]propanoate
CID 43242623
trans-(1S,2S)-2-[2-[[(1R,2S)-2-hydroxycyclohexyl]amino]ethylamino]cyclohexan-1-ol
CID 92759264
methyl 5-[[(1R,2R)-2-hydroxycyclohexyl]amino]-5-oxopentanoate
CID 10900833
2-(3-methylbut-3-enylamino)cyclohexan-1-ol
CID 114472241
3-[[(1R,2R)-2-hydroxycyclopentyl]amino]-N-propan-2-ylpropanamide
CID 102734013
methyl 3-[(4-hydroxy-1,1-dioxothiolan-3-yl)amino]propanoate
CID 60719747
2-[(3-methoxy-3-oxopropyl)amino]cyclobutane-1-carboxylic acid
CID 103240382
4-[[(1S,2S)-2-hydroxycyclopentyl]amino]butanamide
CID 102733144
trans-(1S,2S)-2-(3-methylsulfonylpropylamino)cyclohexan-1-ol
CID 93451135

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[(1S,2S)-2-hydroxycyclohexyl]amino]propanoate?
The IUPAC name of methyl 3-[[(1S,2S)-2-hydroxycyclohexyl]amino]propanoate (CID 102731054) is methyl 3-[[(1S,2S)-2-hydroxycyclohexyl]amino]propanoate.
What is the SMILES notation for methyl 3-[[(1S,2S)-2-hydroxycyclohexyl]amino]propanoate?
The canonical SMILES for methyl 3-[[(1S,2S)-2-hydroxycyclohexyl]amino]propanoate is COC(=O)CCN[C@H]1CCCC[C@@H]1O.
What is the InChIKey of methyl 3-[[(1S,2S)-2-hydroxycyclohexyl]amino]propanoate?
The InChIKey is QJIXKHKZBVCQEG-IUCAKERBSA-N. The full InChI is InChI=1S/C10H19NO3/c1-14-10(13)6-7-11-8-4-2-3-5-9(8)12/h8-9,11-12H,2-7H2,1H3/t8-,9-/m0/s1.
What are the key properties of methyl 3-[[(1S,2S)-2-hydroxycyclohexyl]amino]propanoate?
methyl 3-[[(1S,2S)-2-hydroxycyclohexyl]amino]propanoate has a molecular weight of 201.27 g/mol, XLogP of 0.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[(1S,2S)-2-hydroxycyclohexyl]amino]propanoate is sourced from PubChem (CID 102731054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).