(4S)-4-(aminomethyl)-5,5-difluoro-4-hydroxypentanoic acid

C6H11F2NO3 — CID 129452449

IUPAC(4S)-4-(aminomethyl)-5,5-difluoro-4-hydroxypentanoic acid
SMILESNC[C@@](O)(CCC(=O)O)C(F)F
InChIInChI=1S/C6H11F2NO3/c7-5(8)6(12,3-9)2-1-4(10)11/h5,12H,1-3,9H2,(H,10,11)/t6-/m0/s1
InChIKeyXYOUJEBVUPJKNB-LURJTMIESA-N
MW183.15 g/mol
LogP-0.19
Rot. Bonds5

About (4S)-4-(aminomethyl)-5,5-difluoro-4-hydroxypentanoic acid

(4S)-4-(aminomethyl)-5,5-difluoro-4-hydroxypentanoic acid (PubChem CID 129452449) has the molecular formula C6H11F2NO3 and a molecular weight of 183.15 g/mol. Its IUPAC name is (4S)-4-(aminomethyl)-5,5-difluoro-4-hydroxypentanoic acid.

Molecular Properties

Compound Name(4S)-4-(aminomethyl)-5,5-difluoro-4-hydroxypentanoic acid
PubChem CID129452449
Molecular FormulaC6H11F2NO3
Molecular Weight183.15 g/mol
Exact Mass183.07
IUPAC Name(4S)-4-(aminomethyl)-5,5-difluoro-4-hydroxypentanoic acid
SMILESNC[C@@](O)(CCC(=O)O)C(F)F
InChIInChI=1S/C6H11F2NO3/c7-5(8)6(12,3-9)2-1-4(10)11/h5,12H,1-3,9H2,(H,10,11)/t6-/m0/s1
InChIKeyXYOUJEBVUPJKNB-LURJTMIESA-N
XLogP-0.19
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.15
LogP ≤ 5-0.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-2-(difluoromethyl)pentanedioic acid
CID 175133847
2-amino-3-fluoro-3-hydroxyhexanedioic acid
CID 140720905
4-(aminomethyl)-4-sulfoheptanedioic acid
CID 174920771
4,4-dihydroxyheptanedioic acid
CID 87892288
5-amino-4-methyl-4-sulfanylpentanoic acid
CID 21447959
butanedioic acid;fluoroform
CID 159416748
4,4-diaminoheptanedioic acid
CID 158684867
(4R)-4,5-diamino-4-fluoro-5-oxopentanoic acid
CID 87215084
4-amino-4-methylpentanoic acid
CID 158438218
4-amino-4-fluorobutanoic acid
CID 20508342
(2S)-2-hydroxy-2-methylpentanedioic acid
CID 87384550
3-(15N)azanyl(113C)propanoic acid
CID 11366951

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(aminomethyl)-5,5-difluoro-4-hydroxypentanoic acid?
The IUPAC name of (4S)-4-(aminomethyl)-5,5-difluoro-4-hydroxypentanoic acid (CID 129452449) is (4S)-4-(aminomethyl)-5,5-difluoro-4-hydroxypentanoic acid.
What is the SMILES notation for (4S)-4-(aminomethyl)-5,5-difluoro-4-hydroxypentanoic acid?
The canonical SMILES for (4S)-4-(aminomethyl)-5,5-difluoro-4-hydroxypentanoic acid is NC[C@@](O)(CCC(=O)O)C(F)F.
What is the InChIKey of (4S)-4-(aminomethyl)-5,5-difluoro-4-hydroxypentanoic acid?
The InChIKey is XYOUJEBVUPJKNB-LURJTMIESA-N. The full InChI is InChI=1S/C6H11F2NO3/c7-5(8)6(12,3-9)2-1-4(10)11/h5,12H,1-3,9H2,(H,10,11)/t6-/m0/s1.
What are the key properties of (4S)-4-(aminomethyl)-5,5-difluoro-4-hydroxypentanoic acid?
(4S)-4-(aminomethyl)-5,5-difluoro-4-hydroxypentanoic acid has a molecular weight of 183.15 g/mol, XLogP of -0.19, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(aminomethyl)-5,5-difluoro-4-hydroxypentanoic acid is sourced from PubChem (CID 129452449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).