5-amino-5-fluoro-2-(methylamino)pentanoic acid

C6H13FN2O2 — CID 87457639

IUPAC5-amino-5-fluoro-2-(methylamino)pentanoic acid
SMILESCNC(CCC(N)F)C(=O)O
InChIInChI=1S/C6H13FN2O2/c1-9-4(6(10)11)2-3-5(7)8/h4-5,9H,2-3,8H2,1H3,(H,10,11)
InChIKeyJYLAGJYVGWKYPD-UHFFFAOYSA-N
MW164.18 g/mol
LogP-0.31
Rot. Bonds5

About 5-amino-5-fluoro-2-(methylamino)pentanoic acid

5-amino-5-fluoro-2-(methylamino)pentanoic acid (PubChem CID 87457639) has the molecular formula C6H13FN2O2 and a molecular weight of 164.18 g/mol. Its IUPAC name is 5-amino-5-fluoro-2-(methylamino)pentanoic acid.

Molecular Properties

Compound Name5-amino-5-fluoro-2-(methylamino)pentanoic acid
PubChem CID87457639
Molecular FormulaC6H13FN2O2
Molecular Weight164.18 g/mol
Exact Mass164.10
IUPAC Name5-amino-5-fluoro-2-(methylamino)pentanoic acid
SMILESCNC(CCC(N)F)C(=O)O
InChIInChI=1S/C6H13FN2O2/c1-9-4(6(10)11)2-3-5(7)8/h4-5,9H,2-3,8H2,1H3,(H,10,11)
InChIKeyJYLAGJYVGWKYPD-UHFFFAOYSA-N
XLogP-0.31
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.18
LogP ≤ 5-0.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

5-amino-2-(methylamino)hexanoic acid
CID 139342913
(2R)-2-(methylamino)pentanoic acid
CID 15677248
2,5-bis(methylamino)hexanediamide
CID 66221520
5-amino-2-(methylamino)pentanoic acid;hydrochloride
CID 23216389
(2S)-6-amino-2-(methylamino)-6-oxohexanoic acid
CID 177277672
5-(diaminomethylamino)-2-(methylamino)pentanoic acid
CID 134576168
(2S)-6-amino-2-(methylamino)-7-oxooctanoic acid
CID 87407162
6-methyl-2-(methylamino)heptanoic acid
CID 91290146
(2S)-6-amino-2-(methylamino)hexanoic acid;dihydrochloride
CID 22872767
(2S)-2-(methylamino)-4-methylsulfanylbutanoic acid
CID 6451891
(2S)-2-(methylamino)pentanoic acid;molecular hydrogen;propane
CID 169240700
4-hydroperoxy-2-(methylamino)butanoic acid
CID 59881531

Frequently Asked Questions

What is the IUPAC name of 5-amino-5-fluoro-2-(methylamino)pentanoic acid?
The IUPAC name of 5-amino-5-fluoro-2-(methylamino)pentanoic acid (CID 87457639) is 5-amino-5-fluoro-2-(methylamino)pentanoic acid.
What is the SMILES notation for 5-amino-5-fluoro-2-(methylamino)pentanoic acid?
The canonical SMILES for 5-amino-5-fluoro-2-(methylamino)pentanoic acid is CNC(CCC(N)F)C(=O)O.
What is the InChIKey of 5-amino-5-fluoro-2-(methylamino)pentanoic acid?
The InChIKey is JYLAGJYVGWKYPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13FN2O2/c1-9-4(6(10)11)2-3-5(7)8/h4-5,9H,2-3,8H2,1H3,(H,10,11).
What are the key properties of 5-amino-5-fluoro-2-(methylamino)pentanoic acid?
5-amino-5-fluoro-2-(methylamino)pentanoic acid has a molecular weight of 164.18 g/mol, XLogP of -0.31, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-5-fluoro-2-(methylamino)pentanoic acid is sourced from PubChem (CID 87457639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).