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

C12H22N2O2 — CID 107222070

IUPAC3-(cyclopropylamino)-N-[(1R,2R)-2-hydroxycyclohexyl]propanamide
SMILESO=C(CCNC1CC1)N[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C12H22N2O2/c15-11-4-2-1-3-10(11)14-12(16)7-8-13-9-5-6-9/h9-11,13,15H,1-8H2,(H,14,16)/t10-,11-/m1/s1
InChIKeyDNIUMNHSYLMTJO-GHMZBOCLSA-N
MW226.32 g/mol
LogP0.55
Rot. Bonds5

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

3-(cyclopropylamino)-N-[(1R,2R)-2-hydroxycyclohexyl]propanamide (PubChem CID 107222070) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 3-(cyclopropylamino)-N-[(1R,2R)-2-hydroxycyclohexyl]propanamide.

Molecular Properties

Compound Name3-(cyclopropylamino)-N-[(1R,2R)-2-hydroxycyclohexyl]propanamide
PubChem CID107222070
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name3-(cyclopropylamino)-N-[(1R,2R)-2-hydroxycyclohexyl]propanamide
SMILESO=C(CCNC1CC1)N[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C12H22N2O2/c15-11-4-2-1-3-10(11)14-12(16)7-8-13-9-5-6-9/h9-11,13,15H,1-8H2,(H,14,16)/t10-,11-/m1/s1
InChIKeyDNIUMNHSYLMTJO-GHMZBOCLSA-N
XLogP0.55
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R,2S)-2-hydroxycyclohexyl]-N'-[(1S,2R)-2-hydroxycyclohexyl]hexanediamide
CID 40600214
3-(cyclopropylamino)-N-(2-ethylcyclohexyl)propanamide
CID 60867081
3-(cyclobutylamino)-N-cyclopropylpropanamide
CID 62627198
3-[[(1R,2R)-2-hydroxycyclohexyl]amino]propanamide
CID 93346245
5-hydroxy-N-(2-hydroxycyclohexyl)pentanamide
CID 79199015
4-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]butanamide
CID 107216783
2-hydroxy-N-[(1R,2R)-2-hydroxycycloheptyl]acetamide
CID 130693023
N-(2-hydroxycyclopentyl)butanamide
CID 72951810
2-bromo-N-(2-hydroxycyclohexyl)acetamide
CID 63680498
N-[(1S,2S)-2-hydroxycyclopentyl]butanamide;hydrochloride
CID 71419667
4-amino-N-[(1S,2S)-2-hydroxycyclohexyl]pentanamide
CID 107221714
3-[[(1R,2R)-2-hydroxycyclopentyl]amino]-N-propan-2-ylpropanamide
CID 102734013

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylamino)-N-[(1R,2R)-2-hydroxycyclohexyl]propanamide?
The IUPAC name of 3-(cyclopropylamino)-N-[(1R,2R)-2-hydroxycyclohexyl]propanamide (CID 107222070) is 3-(cyclopropylamino)-N-[(1R,2R)-2-hydroxycyclohexyl]propanamide.
What is the SMILES notation for 3-(cyclopropylamino)-N-[(1R,2R)-2-hydroxycyclohexyl]propanamide?
The canonical SMILES for 3-(cyclopropylamino)-N-[(1R,2R)-2-hydroxycyclohexyl]propanamide is O=C(CCNC1CC1)N[C@@H]1CCCC[C@H]1O.
What is the InChIKey of 3-(cyclopropylamino)-N-[(1R,2R)-2-hydroxycyclohexyl]propanamide?
The InChIKey is DNIUMNHSYLMTJO-GHMZBOCLSA-N. The full InChI is InChI=1S/C12H22N2O2/c15-11-4-2-1-3-10(11)14-12(16)7-8-13-9-5-6-9/h9-11,13,15H,1-8H2,(H,14,16)/t10-,11-/m1/s1.
What are the key properties of 3-(cyclopropylamino)-N-[(1R,2R)-2-hydroxycyclohexyl]propanamide?
3-(cyclopropylamino)-N-[(1R,2R)-2-hydroxycyclohexyl]propanamide has a molecular weight of 226.32 g/mol, XLogP of 0.55, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylamino)-N-[(1R,2R)-2-hydroxycyclohexyl]propanamide is sourced from PubChem (CID 107222070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).