(2S,3R,4S)-1-butyl-3,4-dihydroxy-N-pentylpyrrolidine-2-carboxamide

C14H28N2O3 — CID 5276345

IUPAC(2S,3R,4S)-1-butyl-3,4-dihydroxy-N-pentylpyrrolidine-2-carboxamide
SMILESCCCCCNC(=O)[C@@H]1[C@@H](O)[C@@H](O)CN1CCCC
InChIInChI=1S/C14H28N2O3/c1-3-5-7-8-15-14(19)12-13(18)11(17)10-16(12)9-6-4-2/h11-13,17-18H,3-10H2,1-2H3,(H,15,19)/t11-,12-,13-/m0/s1
InChIKeyYEILONRVZNDHIA-AVGNSLFASA-N
MW272.39 g/mol
LogP0.50
Rot. Bonds8

About (2S,3R,4S)-1-butyl-3,4-dihydroxy-N-pentylpyrrolidine-2-carboxamide

(2S,3R,4S)-1-butyl-3,4-dihydroxy-N-pentylpyrrolidine-2-carboxamide (PubChem CID 5276345) has the molecular formula C14H28N2O3 and a molecular weight of 272.39 g/mol. Its IUPAC name is (2S,3R,4S)-1-butyl-3,4-dihydroxy-N-pentylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,3R,4S)-1-butyl-3,4-dihydroxy-N-pentylpyrrolidine-2-carboxamide
PubChem CID5276345
Molecular FormulaC14H28N2O3
Molecular Weight272.39 g/mol
Exact Mass272.21
IUPAC Name(2S,3R,4S)-1-butyl-3,4-dihydroxy-N-pentylpyrrolidine-2-carboxamide
SMILESCCCCCNC(=O)[C@@H]1[C@@H](O)[C@@H](O)CN1CCCC
InChIInChI=1S/C14H28N2O3/c1-3-5-7-8-15-14(19)12-13(18)11(17)10-16(12)9-6-4-2/h11-13,17-18H,3-10H2,1-2H3,(H,15,19)/t11-,12-,13-/m0/s1
InChIKeyYEILONRVZNDHIA-AVGNSLFASA-N
XLogP0.50
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 50.50
H-Bond Donors ≤ 53
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)-1-butyl-3,4-dihydroxy-N-pentylpyrrolidine-2-carboxamide?
The IUPAC name of (2S,3R,4S)-1-butyl-3,4-dihydroxy-N-pentylpyrrolidine-2-carboxamide (CID 5276345) is (2S,3R,4S)-1-butyl-3,4-dihydroxy-N-pentylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,3R,4S)-1-butyl-3,4-dihydroxy-N-pentylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S,3R,4S)-1-butyl-3,4-dihydroxy-N-pentylpyrrolidine-2-carboxamide is CCCCCNC(=O)[C@@H]1[C@@H](O)[C@@H](O)CN1CCCC.
What is the InChIKey of (2S,3R,4S)-1-butyl-3,4-dihydroxy-N-pentylpyrrolidine-2-carboxamide?
The InChIKey is YEILONRVZNDHIA-AVGNSLFASA-N. The full InChI is InChI=1S/C14H28N2O3/c1-3-5-7-8-15-14(19)12-13(18)11(17)10-16(12)9-6-4-2/h11-13,17-18H,3-10H2,1-2H3,(H,15,19)/t11-,12-,13-/m0/s1.
What are the key properties of (2S,3R,4S)-1-butyl-3,4-dihydroxy-N-pentylpyrrolidine-2-carboxamide?
(2S,3R,4S)-1-butyl-3,4-dihydroxy-N-pentylpyrrolidine-2-carboxamide has a molecular weight of 272.39 g/mol, XLogP of 0.50, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S)-1-butyl-3,4-dihydroxy-N-pentylpyrrolidine-2-carboxamide is sourced from PubChem (CID 5276345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).