(1S,2S,3S,4R,5R)-4-(butylamino)-5-(hydroxymethyl)cyclopentane-1,2,3-triol

C10H21NO4 — CID 154572781

IUPAC(1S,2S,3S,4R,5R)-4-(butylamino)-5-(hydroxymethyl)cyclopentane-1,2,3-triol
SMILESCCCCN[C@H]1[C@H](O)[C@@H](O)[C@@H](O)[C@H]1CO
InChIInChI=1S/C10H21NO4/c1-2-3-4-11-7-6(5-12)8(13)10(15)9(7)14/h6-15H,2-5H2,1H3/t6-,7+,8-,9-,10-/m0/s1
InChIKeyMAAZZKNZPWVPHD-SVSWQMSJSA-N
MW219.28 g/mol
LogP-1.55
Rot. Bonds5

About (1S,2S,3S,4R,5R)-4-(butylamino)-5-(hydroxymethyl)cyclopentane-1,2,3-triol

(1S,2S,3S,4R,5R)-4-(butylamino)-5-(hydroxymethyl)cyclopentane-1,2,3-triol (PubChem CID 154572781) has the molecular formula C10H21NO4 and a molecular weight of 219.28 g/mol. Its IUPAC name is (1S,2S,3S,4R,5R)-4-(butylamino)-5-(hydroxymethyl)cyclopentane-1,2,3-triol.

Molecular Properties

Compound Name(1S,2S,3S,4R,5R)-4-(butylamino)-5-(hydroxymethyl)cyclopentane-1,2,3-triol
PubChem CID154572781
Molecular FormulaC10H21NO4
Molecular Weight219.28 g/mol
Exact Mass219.15
IUPAC Name(1S,2S,3S,4R,5R)-4-(butylamino)-5-(hydroxymethyl)cyclopentane-1,2,3-triol
SMILESCCCCN[C@H]1[C@H](O)[C@@H](O)[C@@H](O)[C@H]1CO
InChIInChI=1S/C10H21NO4/c1-2-3-4-11-7-6(5-12)8(13)10(15)9(7)14/h6-15H,2-5H2,1H3/t6-,7+,8-,9-,10-/m0/s1
InChIKeyMAAZZKNZPWVPHD-SVSWQMSJSA-N
XLogP-1.55
TPSA92.95 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 5-1.55
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1S,2S,3S,4R,5R)-4-(butylamino)-5-(hydroxymethyl)cyclopentane-1,2,3-triol?
The IUPAC name of (1S,2S,3S,4R,5R)-4-(butylamino)-5-(hydroxymethyl)cyclopentane-1,2,3-triol (CID 154572781) is (1S,2S,3S,4R,5R)-4-(butylamino)-5-(hydroxymethyl)cyclopentane-1,2,3-triol.
What is the SMILES notation for (1S,2S,3S,4R,5R)-4-(butylamino)-5-(hydroxymethyl)cyclopentane-1,2,3-triol?
The canonical SMILES for (1S,2S,3S,4R,5R)-4-(butylamino)-5-(hydroxymethyl)cyclopentane-1,2,3-triol is CCCCN[C@H]1[C@H](O)[C@@H](O)[C@@H](O)[C@H]1CO.
What is the InChIKey of (1S,2S,3S,4R,5R)-4-(butylamino)-5-(hydroxymethyl)cyclopentane-1,2,3-triol?
The InChIKey is MAAZZKNZPWVPHD-SVSWQMSJSA-N. The full InChI is InChI=1S/C10H21NO4/c1-2-3-4-11-7-6(5-12)8(13)10(15)9(7)14/h6-15H,2-5H2,1H3/t6-,7+,8-,9-,10-/m0/s1.
What are the key properties of (1S,2S,3S,4R,5R)-4-(butylamino)-5-(hydroxymethyl)cyclopentane-1,2,3-triol?
(1S,2S,3S,4R,5R)-4-(butylamino)-5-(hydroxymethyl)cyclopentane-1,2,3-triol has a molecular weight of 219.28 g/mol, XLogP of -1.55, 5 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,3S,4R,5R)-4-(butylamino)-5-(hydroxymethyl)cyclopentane-1,2,3-triol is sourced from PubChem (CID 154572781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).