3-[[(1R,2R)-2-hydroxycyclopentyl]amino]-N-propan-2-ylpropanamide

C11H22N2O2 — CID 102734013

IUPAC3-[[(1R,2R)-2-hydroxycyclopentyl]amino]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CCN[C@@H]1CCC[C@H]1O
InChIInChI=1S/C11H22N2O2/c1-8(2)13-11(15)6-7-12-9-4-3-5-10(9)14/h8-10,12,14H,3-7H2,1-2H3,(H,13,15)/t9-,10-/m1/s1
InChIKeyXXJKCXKWUSKXEQ-NXEZZACHSA-N
MW214.31 g/mol
LogP0.40
Rot. Bonds5

About 3-[[(1R,2R)-2-hydroxycyclopentyl]amino]-N-propan-2-ylpropanamide

3-[[(1R,2R)-2-hydroxycyclopentyl]amino]-N-propan-2-ylpropanamide (PubChem CID 102734013) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 3-[[(1R,2R)-2-hydroxycyclopentyl]amino]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-[[(1R,2R)-2-hydroxycyclopentyl]amino]-N-propan-2-ylpropanamide
PubChem CID102734013
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name3-[[(1R,2R)-2-hydroxycyclopentyl]amino]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CCN[C@@H]1CCC[C@H]1O
InChIInChI=1S/C11H22N2O2/c1-8(2)13-11(15)6-7-12-9-4-3-5-10(9)14/h8-10,12,14H,3-7H2,1-2H3,(H,13,15)/t9-,10-/m1/s1
InChIKeyXXJKCXKWUSKXEQ-NXEZZACHSA-N
XLogP0.40
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4-methylcycloheptyl)amino]-N-propan-2-ylpropanamide
CID 113409685
N-propan-2-yl-3-[(4-propan-2-ylcycloheptyl)amino]propanamide
CID 115756514
3-(cyclopropylamino)-N-[3-oxo-3-(propan-2-ylamino)propyl]propanamide
CID 113410047
3-[[(1R,2R)-2-hydroxycyclohexyl]amino]propanamide
CID 93346245
methyl 3-[[(1S,2S)-2-hydroxycyclohexyl]amino]propanoate
CID 102731054
4-[[(1S,2S)-2-hydroxycyclopentyl]amino]butanamide
CID 102733144
trans-(1R,2R)-2-(3-hydroxybutylamino)cyclopentan-1-ol
CID 102733575
3-[[(1S,2S)-2-hydroxycyclohexyl]amino]-N,N-dimethylpropanamide
CID 102731154
3-(cyclopropylamino)-N-[(1R,2R)-2-hydroxycyclohexyl]propanamide
CID 107222070
3-[(3,4-dimethylcyclohexyl)amino]-N-propan-2-ylpropanamide
CID 64742875
3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)-N-propan-2-ylpropanamide
CID 62623237
trans-(1R,2R)-2-(4-methylpentylamino)cyclopentan-1-ol
CID 102733178

Frequently Asked Questions

What is the IUPAC name of 3-[[(1R,2R)-2-hydroxycyclopentyl]amino]-N-propan-2-ylpropanamide?
The IUPAC name of 3-[[(1R,2R)-2-hydroxycyclopentyl]amino]-N-propan-2-ylpropanamide (CID 102734013) is 3-[[(1R,2R)-2-hydroxycyclopentyl]amino]-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-[[(1R,2R)-2-hydroxycyclopentyl]amino]-N-propan-2-ylpropanamide?
The canonical SMILES for 3-[[(1R,2R)-2-hydroxycyclopentyl]amino]-N-propan-2-ylpropanamide is CC(C)NC(=O)CCN[C@@H]1CCC[C@H]1O.
What is the InChIKey of 3-[[(1R,2R)-2-hydroxycyclopentyl]amino]-N-propan-2-ylpropanamide?
The InChIKey is XXJKCXKWUSKXEQ-NXEZZACHSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-8(2)13-11(15)6-7-12-9-4-3-5-10(9)14/h8-10,12,14H,3-7H2,1-2H3,(H,13,15)/t9-,10-/m1/s1.
What are the key properties of 3-[[(1R,2R)-2-hydroxycyclopentyl]amino]-N-propan-2-ylpropanamide?
3-[[(1R,2R)-2-hydroxycyclopentyl]amino]-N-propan-2-ylpropanamide has a molecular weight of 214.31 g/mol, XLogP of 0.40, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(1R,2R)-2-hydroxycyclopentyl]amino]-N-propan-2-ylpropanamide is sourced from PubChem (CID 102734013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).