(2S,3R,4S)-3,4-dihydroxy-N-pentylpyrrolidine-2-carboxamide

C10H20N2O3 — CID 5276346

IUPAC(2S,3R,4S)-3,4-dihydroxy-N-pentylpyrrolidine-2-carboxamide
SMILESCCCCCNC(=O)[C@H]1NC[C@H](O)[C@@H]1O
InChIInChI=1S/C10H20N2O3/c1-2-3-4-5-11-10(15)8-9(14)7(13)6-12-8/h7-9,12-14H,2-6H2,1H3,(H,11,15)/t7-,8-,9-/m0/s1
InChIKeyPDRDNOXBCLQZAJ-CIUDSAMLSA-N
MW216.28 g/mol
LogP-1.01
Rot. Bonds5

About (2S,3R,4S)-3,4-dihydroxy-N-pentylpyrrolidine-2-carboxamide

(2S,3R,4S)-3,4-dihydroxy-N-pentylpyrrolidine-2-carboxamide (PubChem CID 5276346) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is (2S,3R,4S)-3,4-dihydroxy-N-pentylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,3R,4S)-3,4-dihydroxy-N-pentylpyrrolidine-2-carboxamide
PubChem CID5276346
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Name(2S,3R,4S)-3,4-dihydroxy-N-pentylpyrrolidine-2-carboxamide
SMILESCCCCCNC(=O)[C@H]1NC[C@H](O)[C@@H]1O
InChIInChI=1S/C10H20N2O3/c1-2-3-4-5-11-10(15)8-9(14)7(13)6-12-8/h7-9,12-14H,2-6H2,1H3,(H,11,15)/t7-,8-,9-/m0/s1
InChIKeyPDRDNOXBCLQZAJ-CIUDSAMLSA-N
XLogP-1.01
TPSA81.59 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 5-1.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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 (2S,3R,4S)-3,4-dihydroxy-N-pentylpyrrolidine-2-carboxamide?
The IUPAC name of (2S,3R,4S)-3,4-dihydroxy-N-pentylpyrrolidine-2-carboxamide (CID 5276346) is (2S,3R,4S)-3,4-dihydroxy-N-pentylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,3R,4S)-3,4-dihydroxy-N-pentylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S,3R,4S)-3,4-dihydroxy-N-pentylpyrrolidine-2-carboxamide is CCCCCNC(=O)[C@H]1NC[C@H](O)[C@@H]1O.
What is the InChIKey of (2S,3R,4S)-3,4-dihydroxy-N-pentylpyrrolidine-2-carboxamide?
The InChIKey is PDRDNOXBCLQZAJ-CIUDSAMLSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-2-3-4-5-11-10(15)8-9(14)7(13)6-12-8/h7-9,12-14H,2-6H2,1H3,(H,11,15)/t7-,8-,9-/m0/s1.
What are the key properties of (2S,3R,4S)-3,4-dihydroxy-N-pentylpyrrolidine-2-carboxamide?
(2S,3R,4S)-3,4-dihydroxy-N-pentylpyrrolidine-2-carboxamide has a molecular weight of 216.28 g/mol, XLogP of -1.01, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S)-3,4-dihydroxy-N-pentylpyrrolidine-2-carboxamide is sourced from PubChem (CID 5276346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).