methyl 5-[[(1R,2R)-2-hydroxycyclohexyl]amino]-5-oxopentanoate

C12H21NO4 — CID 10900833

IUPACmethyl 5-[[(1R,2R)-2-hydroxycyclohexyl]amino]-5-oxopentanoate
SMILESCOC(=O)CCCC(=O)N[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C12H21NO4/c1-17-12(16)8-4-7-11(15)13-9-5-2-3-6-10(9)14/h9-10,14H,2-8H2,1H3,(H,13,15)/t9-,10-/m1/s1
InChIKeyXSCXRZUSFFUJPB-NXEZZACHSA-N
MW243.30 g/mol
LogP0.75
Rot. Bonds5

About methyl 5-[[(1R,2R)-2-hydroxycyclohexyl]amino]-5-oxopentanoate

methyl 5-[[(1R,2R)-2-hydroxycyclohexyl]amino]-5-oxopentanoate (PubChem CID 10900833) has the molecular formula C12H21NO4 and a molecular weight of 243.30 g/mol. Its IUPAC name is methyl 5-[[(1R,2R)-2-hydroxycyclohexyl]amino]-5-oxopentanoate.

Molecular Properties

Compound Namemethyl 5-[[(1R,2R)-2-hydroxycyclohexyl]amino]-5-oxopentanoate
PubChem CID10900833
Molecular FormulaC12H21NO4
Molecular Weight243.30 g/mol
Exact Mass243.15
IUPAC Namemethyl 5-[[(1R,2R)-2-hydroxycyclohexyl]amino]-5-oxopentanoate
SMILESCOC(=O)CCCC(=O)N[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C12H21NO4/c1-17-12(16)8-4-7-11(15)13-9-5-2-3-6-10(9)14/h9-10,14H,2-8H2,1H3,(H,13,15)/t9-,10-/m1/s1
InChIKeyXSCXRZUSFFUJPB-NXEZZACHSA-N
XLogP0.75
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl 5-[[(1R,2R)-2-hydroxycyclohexyl]amino]-5-oxopentanoate with MolForge

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Related Compounds

N-[(1R,2S)-2-hydroxycyclohexyl]-N'-[(1S,2R)-2-hydroxycyclohexyl]hexanediamide
CID 40600214
4-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]butanamide
CID 107216783
5-hydroxy-N-(2-hydroxycyclohexyl)pentanamide
CID 79199015
N-(2-hydroxycyclopentyl)-2-methoxyacetamide
CID 20644229
methyl 6-(cyclopentylamino)-6-oxohexanoate
CID 162372122
6-amino-N-[(1S,2S)-2-hydroxycyclohexyl]hexanamide
CID 107221663
methyl 3-[[(1S,2S)-2-hydroxycyclohexyl]amino]propanoate
CID 102731054
N-(2-hydroxycyclopentyl)butanamide
CID 72951810
N-[(1S,2S)-2-hydroxycyclopentyl]-4-propan-2-yloxybutanamide
CID 97351386
N-[(1R,2R)-2-hydroxycyclohexyl]-3-propan-2-yloxypropanamide
CID 97245059
N-[(1S,2S)-2-hydroxycyclopentyl]butanamide;hydrochloride
CID 71419667
4-amino-N-[(1S,2S)-2-hydroxycyclohexyl]pentanamide
CID 107221714

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[(1R,2R)-2-hydroxycyclohexyl]amino]-5-oxopentanoate?
The IUPAC name of methyl 5-[[(1R,2R)-2-hydroxycyclohexyl]amino]-5-oxopentanoate (CID 10900833) is methyl 5-[[(1R,2R)-2-hydroxycyclohexyl]amino]-5-oxopentanoate.
What is the SMILES notation for methyl 5-[[(1R,2R)-2-hydroxycyclohexyl]amino]-5-oxopentanoate?
The canonical SMILES for methyl 5-[[(1R,2R)-2-hydroxycyclohexyl]amino]-5-oxopentanoate is COC(=O)CCCC(=O)N[C@@H]1CCCC[C@H]1O.
What is the InChIKey of methyl 5-[[(1R,2R)-2-hydroxycyclohexyl]amino]-5-oxopentanoate?
The InChIKey is XSCXRZUSFFUJPB-NXEZZACHSA-N. The full InChI is InChI=1S/C12H21NO4/c1-17-12(16)8-4-7-11(15)13-9-5-2-3-6-10(9)14/h9-10,14H,2-8H2,1H3,(H,13,15)/t9-,10-/m1/s1.
What are the key properties of methyl 5-[[(1R,2R)-2-hydroxycyclohexyl]amino]-5-oxopentanoate?
methyl 5-[[(1R,2R)-2-hydroxycyclohexyl]amino]-5-oxopentanoate has a molecular weight of 243.30 g/mol, XLogP of 0.75, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[(1R,2R)-2-hydroxycyclohexyl]amino]-5-oxopentanoate is sourced from PubChem (CID 10900833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).