3-amino-5-(2-hydroxyethoxy)-2-propan-2-yloxycyclopentan-1-ol

C10H21NO4 — CID 123237093

IUPAC3-amino-5-(2-hydroxyethoxy)-2-propan-2-yloxycyclopentan-1-ol
SMILESCC(C)OC1C(N)CC(OCCO)C1O
InChIInChI=1S/C10H21NO4/c1-6(2)15-10-7(11)5-8(9(10)13)14-4-3-12/h6-10,12-13H,3-5,11H2,1-2H3
InChIKeyLAXIVRURLJGZPN-UHFFFAOYSA-N
MW219.28 g/mol
LogP-0.75
Rot. Bonds5

About 3-amino-5-(2-hydroxyethoxy)-2-propan-2-yloxycyclopentan-1-ol

3-amino-5-(2-hydroxyethoxy)-2-propan-2-yloxycyclopentan-1-ol (PubChem CID 123237093) has the molecular formula C10H21NO4 and a molecular weight of 219.28 g/mol. Its IUPAC name is 3-amino-5-(2-hydroxyethoxy)-2-propan-2-yloxycyclopentan-1-ol.

Molecular Properties

Compound Name3-amino-5-(2-hydroxyethoxy)-2-propan-2-yloxycyclopentan-1-ol
PubChem CID123237093
Molecular FormulaC10H21NO4
Molecular Weight219.28 g/mol
Exact Mass219.15
IUPAC Name3-amino-5-(2-hydroxyethoxy)-2-propan-2-yloxycyclopentan-1-ol
SMILESCC(C)OC1C(N)CC(OCCO)C1O
InChIInChI=1S/C10H21NO4/c1-6(2)15-10-7(11)5-8(9(10)13)14-4-3-12/h6-10,12-13H,3-5,11H2,1-2H3
InChIKeyLAXIVRURLJGZPN-UHFFFAOYSA-N
XLogP-0.75
TPSA84.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 5-0.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(1R,2S,3R,5S)-3-amino-5-(2-hydroxyethoxy)cyclopentane-1,2-diol
CID 141351699
cis-(1S,2R)-2-propan-2-yloxycyclopropan-1-amine
CID 171466895
2-(2-methylcyclopropyl)oxyethanol
CID 130122746
4-amino-6-[3-[5-amino-4-(3-amino-4-hydroxybutan-2-yl)oxy-2,3-dihydroxycyclohexyl]propyl]-3-(3-amino-4-hydroxybutan-2-yl)oxycyclohexane-1,2-diol
CID 58265464
2-[[(3aS,4R,6S,6aR)-6-amino-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]oxy]ethanol
CID 78358204
2-[[(3aR,6R,6aS)-6-amino-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]oxy]ethanol
CID 134714753
2-[(3R)-4-amino-1-propan-2-ylpiperidin-3-yl]oxyethanol
CID 134177883
(1S,2R,3S,5S)-3-(2-hydroxyethoxy)-6-oxabicyclo[3.1.0]hexan-2-ol
CID 141351698
2-[2-[2-[2-(2-hydroxyethoxy)cyclohexyl]propyl]cyclohexyl]oxyethanol
CID 151509941
2-[(1S,2S)-2-(3-methylbutyl)cyclohexyl]oxyethanol
CID 58242222
2-[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyethanol
CID 11651336
[(1R,2S,3S,4S)-2,3-dihydroxy-4-(2-hydroxyethoxy)cyclopentyl]carbamic acid
CID 118119974

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(2-hydroxyethoxy)-2-propan-2-yloxycyclopentan-1-ol?
The IUPAC name of 3-amino-5-(2-hydroxyethoxy)-2-propan-2-yloxycyclopentan-1-ol (CID 123237093) is 3-amino-5-(2-hydroxyethoxy)-2-propan-2-yloxycyclopentan-1-ol.
What is the SMILES notation for 3-amino-5-(2-hydroxyethoxy)-2-propan-2-yloxycyclopentan-1-ol?
The canonical SMILES for 3-amino-5-(2-hydroxyethoxy)-2-propan-2-yloxycyclopentan-1-ol is CC(C)OC1C(N)CC(OCCO)C1O.
What is the InChIKey of 3-amino-5-(2-hydroxyethoxy)-2-propan-2-yloxycyclopentan-1-ol?
The InChIKey is LAXIVRURLJGZPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO4/c1-6(2)15-10-7(11)5-8(9(10)13)14-4-3-12/h6-10,12-13H,3-5,11H2,1-2H3.
What are the key properties of 3-amino-5-(2-hydroxyethoxy)-2-propan-2-yloxycyclopentan-1-ol?
3-amino-5-(2-hydroxyethoxy)-2-propan-2-yloxycyclopentan-1-ol has a molecular weight of 219.28 g/mol, XLogP of -0.75, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(2-hydroxyethoxy)-2-propan-2-yloxycyclopentan-1-ol is sourced from PubChem (CID 123237093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).