(1S,2R,3R,5R)-3-amino-5-[(propan-2-ylamino)methyl]cyclopentane-1,2-diol

C9H20N2O2 — CID 137448967

IUPAC(1S,2R,3R,5R)-3-amino-5-[(propan-2-ylamino)methyl]cyclopentane-1,2-diol
SMILESCC(C)NC[C@H]1C[C@@H](N)[C@@H](O)[C@H]1O
InChIInChI=1S/C9H20N2O2/c1-5(2)11-4-6-3-7(10)9(13)8(6)12/h5-9,11-13H,3-4,10H2,1-2H3/t6-,7-,8+,9-/m1/s1
InChIKeyWFGZIBLRHIOSTC-LURQLKTLSA-N
MW188.27 g/mol
LogP-0.95
Rot. Bonds3

About (1S,2R,3R,5R)-3-amino-5-[(propan-2-ylamino)methyl]cyclopentane-1,2-diol

(1S,2R,3R,5R)-3-amino-5-[(propan-2-ylamino)methyl]cyclopentane-1,2-diol (PubChem CID 137448967) has the molecular formula C9H20N2O2 and a molecular weight of 188.27 g/mol. Its IUPAC name is (1S,2R,3R,5R)-3-amino-5-[(propan-2-ylamino)methyl]cyclopentane-1,2-diol.

Molecular Properties

Compound Name(1S,2R,3R,5R)-3-amino-5-[(propan-2-ylamino)methyl]cyclopentane-1,2-diol
PubChem CID137448967
Molecular FormulaC9H20N2O2
Molecular Weight188.27 g/mol
Exact Mass188.15
IUPAC Name(1S,2R,3R,5R)-3-amino-5-[(propan-2-ylamino)methyl]cyclopentane-1,2-diol
SMILESCC(C)NC[C@H]1C[C@@H](N)[C@@H](O)[C@H]1O
InChIInChI=1S/C9H20N2O2/c1-5(2)11-4-6-3-7(10)9(13)8(6)12/h5-9,11-13H,3-4,10H2,1-2H3/t6-,7-,8+,9-/m1/s1
InChIKeyWFGZIBLRHIOSTC-LURQLKTLSA-N
XLogP-0.95
TPSA78.51 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 5-0.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze (1S,2R,3R,5R)-3-amino-5-[(propan-2-ylamino)methyl]cyclopentane-1,2-diol with MolForge

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Related Compounds

2-[(propan-2-ylamino)methyl]cyclopentan-1-ol
CID 13133892
(1R,3R,4R,6R)-4,6-diaminocyclohexane-1,2,3-triol
CID 6102588
(1S,3R,4R,6R)-4,6-diaminocyclohexane-1,2,3-triol
CID 98290063
(1R,2R,3S,5S)-3-amino-5-(hydroxymethyl)cyclopentane-1,2-diol
CID 18651921
4-[(propan-2-ylamino)methyl]oxolan-3-ol
CID 170792752
4-[(propan-2-ylamino)methyl]cyclohexan-1-amine
CID 18722066
N-[(2-ethylcyclopentyl)methyl]propan-2-amine
CID 58787055
N-[[2-(3-methylbut-3-enyl)cyclopentyl]methyl]propan-2-amine
CID 114477712
(2R,3S,4R,5S)-2-[(propan-2-ylamino)methyl]oxane-3,4,5-triol
CID 170289565
N-[[(1R,2R)-2-(4-methylpentyl)cyclopropyl]methyl]propan-2-amine
CID 118618598
1-[2-[(propan-2-ylamino)methyl]cyclopentyl]ethanone
CID 89340601
N-[(2,4,4-trimethylcyclohexyl)methyl]propan-2-amine
CID 81030355

Frequently Asked Questions

What is the IUPAC name of (1S,2R,3R,5R)-3-amino-5-[(propan-2-ylamino)methyl]cyclopentane-1,2-diol?
The IUPAC name of (1S,2R,3R,5R)-3-amino-5-[(propan-2-ylamino)methyl]cyclopentane-1,2-diol (CID 137448967) is (1S,2R,3R,5R)-3-amino-5-[(propan-2-ylamino)methyl]cyclopentane-1,2-diol.
What is the SMILES notation for (1S,2R,3R,5R)-3-amino-5-[(propan-2-ylamino)methyl]cyclopentane-1,2-diol?
The canonical SMILES for (1S,2R,3R,5R)-3-amino-5-[(propan-2-ylamino)methyl]cyclopentane-1,2-diol is CC(C)NC[C@H]1C[C@@H](N)[C@@H](O)[C@H]1O.
What is the InChIKey of (1S,2R,3R,5R)-3-amino-5-[(propan-2-ylamino)methyl]cyclopentane-1,2-diol?
The InChIKey is WFGZIBLRHIOSTC-LURQLKTLSA-N. The full InChI is InChI=1S/C9H20N2O2/c1-5(2)11-4-6-3-7(10)9(13)8(6)12/h5-9,11-13H,3-4,10H2,1-2H3/t6-,7-,8+,9-/m1/s1.
What are the key properties of (1S,2R,3R,5R)-3-amino-5-[(propan-2-ylamino)methyl]cyclopentane-1,2-diol?
(1S,2R,3R,5R)-3-amino-5-[(propan-2-ylamino)methyl]cyclopentane-1,2-diol has a molecular weight of 188.27 g/mol, XLogP of -0.95, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,3R,5R)-3-amino-5-[(propan-2-ylamino)methyl]cyclopentane-1,2-diol is sourced from PubChem (CID 137448967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).