3-[[(1R,2R)-2-hydroxycyclohexyl]amino]propanamide

C9H18N2O2 — CID 93346245

IUPAC3-[[(1R,2R)-2-hydroxycyclohexyl]amino]propanamide
SMILESNC(=O)CCN[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C9H18N2O2/c10-9(13)5-6-11-7-3-1-2-4-8(7)12/h7-8,11-12H,1-6H2,(H2,10,13)/t7-,8-/m1/s1
InChIKeyKDCMXBTVVJSIGZ-HTQZYQBOSA-N
MW186.25 g/mol
LogP-0.25
Rot. Bonds4

About 3-[[(1R,2R)-2-hydroxycyclohexyl]amino]propanamide

3-[[(1R,2R)-2-hydroxycyclohexyl]amino]propanamide (PubChem CID 93346245) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is 3-[[(1R,2R)-2-hydroxycyclohexyl]amino]propanamide.

Molecular Properties

Compound Name3-[[(1R,2R)-2-hydroxycyclohexyl]amino]propanamide
PubChem CID93346245
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name3-[[(1R,2R)-2-hydroxycyclohexyl]amino]propanamide
SMILESNC(=O)CCN[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C9H18N2O2/c10-9(13)5-6-11-7-3-1-2-4-8(7)12/h7-8,11-12H,1-6H2,(H2,10,13)/t7-,8-/m1/s1
InChIKeyKDCMXBTVVJSIGZ-HTQZYQBOSA-N
XLogP-0.25
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 5-0.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[(1S,2S)-2-hydroxycyclopentyl]amino]butanamide
CID 102733144
trans-(1S,2S)-2-[2-[[(1R,2S)-2-hydroxycyclohexyl]amino]ethylamino]cyclohexan-1-ol
CID 92759264
methyl 3-[[(1S,2S)-2-hydroxycyclohexyl]amino]propanoate
CID 102731054
2-[(2-hydroxycycloheptyl)amino]ethylurea
CID 83121315
3-[[(1S,2S)-2-hydroxycyclohexyl]amino]-N,N-dimethylpropanamide
CID 102731154
3-[(2-ethylcyclohexyl)amino]propanamide
CID 61466861
2-(3-methylbut-3-enylamino)cyclohexan-1-ol
CID 114472241
3-(cyclopropylamino)-N-[(1R,2R)-2-hydroxycyclohexyl]propanamide
CID 107222070
tert-butyl 3-[(2-hydroxycyclohexyl)amino]propanoate
CID 103249866
3-[[(1R,2R)-2-hydroxycyclopentyl]amino]-N-propan-2-ylpropanamide
CID 102734013
trans-(1R,2R)-2-(2-aminoethylamino)cyclopentan-1-ol
CID 55289731
2-[(2-hydroxycyclohexyl)amino]acetic acid
CID 60886714

Frequently Asked Questions

What is the IUPAC name of 3-[[(1R,2R)-2-hydroxycyclohexyl]amino]propanamide?
The IUPAC name of 3-[[(1R,2R)-2-hydroxycyclohexyl]amino]propanamide (CID 93346245) is 3-[[(1R,2R)-2-hydroxycyclohexyl]amino]propanamide.
What is the SMILES notation for 3-[[(1R,2R)-2-hydroxycyclohexyl]amino]propanamide?
The canonical SMILES for 3-[[(1R,2R)-2-hydroxycyclohexyl]amino]propanamide is NC(=O)CCN[C@@H]1CCCC[C@H]1O.
What is the InChIKey of 3-[[(1R,2R)-2-hydroxycyclohexyl]amino]propanamide?
The InChIKey is KDCMXBTVVJSIGZ-HTQZYQBOSA-N. The full InChI is InChI=1S/C9H18N2O2/c10-9(13)5-6-11-7-3-1-2-4-8(7)12/h7-8,11-12H,1-6H2,(H2,10,13)/t7-,8-/m1/s1.
What are the key properties of 3-[[(1R,2R)-2-hydroxycyclohexyl]amino]propanamide?
3-[[(1R,2R)-2-hydroxycyclohexyl]amino]propanamide has a molecular weight of 186.25 g/mol, XLogP of -0.25, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(1R,2R)-2-hydroxycyclohexyl]amino]propanamide is sourced from PubChem (CID 93346245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).