trans-(1R,2R)-2-[(4-hydroxy-1-methoxybutan-2-yl)amino]cyclopentan-1-ol

C10H21NO3 — CID 106159498

IUPACtrans-(1R,2R)-2-[(4-hydroxy-1-methoxybutan-2-yl)amino]cyclopentan-1-ol
SMILESCOCC(CCO)N[C@@H]1CCC[C@H]1O
InChIInChI=1S/C10H21NO3/c1-14-7-8(5-6-12)11-9-3-2-4-10(9)13/h8-13H,2-7H2,1H3/t8?,9-,10-/m1/s1
InChIKeyGCGIMSONEGULEC-VXRWAFEHSA-N
MW203.28 g/mol
LogP-0.11
Rot. Bonds6

About trans-(1R,2R)-2-[(4-hydroxy-1-methoxybutan-2-yl)amino]cyclopentan-1-ol

trans-(1R,2R)-2-[(4-hydroxy-1-methoxybutan-2-yl)amino]cyclopentan-1-ol (PubChem CID 106159498) has the molecular formula C10H21NO3 and a molecular weight of 203.28 g/mol. Its IUPAC name is trans-(1R,2R)-2-[(4-hydroxy-1-methoxybutan-2-yl)amino]cyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-[(4-hydroxy-1-methoxybutan-2-yl)amino]cyclopentan-1-ol
PubChem CID106159498
Molecular FormulaC10H21NO3
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC Nametrans-(1R,2R)-2-[(4-hydroxy-1-methoxybutan-2-yl)amino]cyclopentan-1-ol
SMILESCOCC(CCO)N[C@@H]1CCC[C@H]1O
InChIInChI=1S/C10H21NO3/c1-14-7-8(5-6-12)11-9-3-2-4-10(9)13/h8-13H,2-7H2,1H3/t8?,9-,10-/m1/s1
InChIKeyGCGIMSONEGULEC-VXRWAFEHSA-N
XLogP-0.11
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 5-0.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

trans-(1S,2S)-2-(1-hydroxypentan-3-ylamino)cyclohexan-1-ol
CID 102731727
2-(1-methoxypropan-2-ylamino)cyclopentan-1-ol
CID 60713672
2-(1-hydroxybutan-2-ylamino)cyclopentan-1-ol
CID 60713643
trans-(1S,2S)-2-(1-hydroxybutan-2-ylamino)cyclopentan-1-ol
CID 102733097
2-(heptan-4-ylamino)cyclopentan-1-ol
CID 115677217
2-[(4-hydroxy-1-methoxybutan-2-yl)amino]cyclobutane-1-carboxylic acid
CID 106162234
trans-(1S,2S)-2-[(1-hydroxy-4-methylpentan-3-yl)amino]cyclopentan-1-ol
CID 106349423
2-[(1-methoxy-3-methylbutan-2-yl)amino]cyclohexan-1-ol
CID 65049574
3-(azetidin-3-ylamino)-4-methoxybutan-1-ol
CID 106156395
2-[(2-hydroxycyclohexyl)amino]-3-methoxypropanoic acid
CID 103249834
3-(2,3-dihydro-1H-inden-2-ylamino)-4-methoxybutan-1-ol
CID 103785498
2-[(1-hydroxy-3-methoxypropan-2-yl)amino]cyclohexane-1-carbonitrile
CID 106190343

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-[(4-hydroxy-1-methoxybutan-2-yl)amino]cyclopentan-1-ol?
The IUPAC name of trans-(1R,2R)-2-[(4-hydroxy-1-methoxybutan-2-yl)amino]cyclopentan-1-ol (CID 106159498) is trans-(1R,2R)-2-[(4-hydroxy-1-methoxybutan-2-yl)amino]cyclopentan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-[(4-hydroxy-1-methoxybutan-2-yl)amino]cyclopentan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-[(4-hydroxy-1-methoxybutan-2-yl)amino]cyclopentan-1-ol is COCC(CCO)N[C@@H]1CCC[C@H]1O.
What is the InChIKey of trans-(1R,2R)-2-[(4-hydroxy-1-methoxybutan-2-yl)amino]cyclopentan-1-ol?
The InChIKey is GCGIMSONEGULEC-VXRWAFEHSA-N. The full InChI is InChI=1S/C10H21NO3/c1-14-7-8(5-6-12)11-9-3-2-4-10(9)13/h8-13H,2-7H2,1H3/t8?,9-,10-/m1/s1.
What are the key properties of trans-(1R,2R)-2-[(4-hydroxy-1-methoxybutan-2-yl)amino]cyclopentan-1-ol?
trans-(1R,2R)-2-[(4-hydroxy-1-methoxybutan-2-yl)amino]cyclopentan-1-ol has a molecular weight of 203.28 g/mol, XLogP of -0.11, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-[(4-hydroxy-1-methoxybutan-2-yl)amino]cyclopentan-1-ol is sourced from PubChem (CID 106159498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).