(2R)-N-[(3R)-3-amino-4-fluorobutyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide

C10H20FN3O2 — CID 143680532

IUPAC(2R)-N-[(3R)-3-amino-4-fluorobutyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
SMILESN[C@@H](CF)CCNC(=O)N1CCC[C@@H]1CO
InChIInChI=1S/C10H20FN3O2/c11-6-8(12)3-4-13-10(16)14-5-1-2-9(14)7-15/h8-9,15H,1-7,12H2,(H,13,16)/t8-,9-/m1/s1
InChIKeyCVDDOLDPKISBFC-RKDXNWHRSA-N
MW233.29 g/mol
LogP-0.16
Rot. Bonds5

About (2R)-N-[(3R)-3-amino-4-fluorobutyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide

(2R)-N-[(3R)-3-amino-4-fluorobutyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide (PubChem CID 143680532) has the molecular formula C10H20FN3O2 and a molecular weight of 233.29 g/mol. Its IUPAC name is (2R)-N-[(3R)-3-amino-4-fluorobutyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-N-[(3R)-3-amino-4-fluorobutyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
PubChem CID143680532
Molecular FormulaC10H20FN3O2
Molecular Weight233.29 g/mol
Exact Mass233.15
IUPAC Name(2R)-N-[(3R)-3-amino-4-fluorobutyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
SMILESN[C@@H](CF)CCNC(=O)N1CCC[C@@H]1CO
InChIInChI=1S/C10H20FN3O2/c11-6-8(12)3-4-13-10(16)14-5-1-2-9(14)7-15/h8-9,15H,1-7,12H2,(H,13,16)/t8-,9-/m1/s1
InChIKeyCVDDOLDPKISBFC-RKDXNWHRSA-N
XLogP-0.16
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 5-0.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(3R)-3-amino-4-fluorobutyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide?
The IUPAC name of (2R)-N-[(3R)-3-amino-4-fluorobutyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide (CID 143680532) is (2R)-N-[(3R)-3-amino-4-fluorobutyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (2R)-N-[(3R)-3-amino-4-fluorobutyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for (2R)-N-[(3R)-3-amino-4-fluorobutyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide is N[C@@H](CF)CCNC(=O)N1CCC[C@@H]1CO.
What is the InChIKey of (2R)-N-[(3R)-3-amino-4-fluorobutyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide?
The InChIKey is CVDDOLDPKISBFC-RKDXNWHRSA-N. The full InChI is InChI=1S/C10H20FN3O2/c11-6-8(12)3-4-13-10(16)14-5-1-2-9(14)7-15/h8-9,15H,1-7,12H2,(H,13,16)/t8-,9-/m1/s1.
What are the key properties of (2R)-N-[(3R)-3-amino-4-fluorobutyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide?
(2R)-N-[(3R)-3-amino-4-fluorobutyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide has a molecular weight of 233.29 g/mol, XLogP of -0.16, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(3R)-3-amino-4-fluorobutyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 143680532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).