(2S,4R)-2-amino-4-(3-fluoropropyl)pentanedioic acid

C8H14FNO4 — CID 88947507

IUPAC(2S,4R)-2-amino-4-(3-fluoropropyl)pentanedioic acid
SMILESN[C@@H](C[C@@H](CCCF)C(=O)O)C(=O)O
InChIInChI=1S/C8H14FNO4/c9-3-1-2-5(7(11)12)4-6(10)8(13)14/h5-6H,1-4,10H2,(H,11,12)(H,13,14)/t5-,6+/m1/s1
InChIKeyMKDNDKMECWBLOF-RITPCOANSA-N
MW207.20 g/mol
LogP0.24
Rot. Bonds7

About (2S,4R)-2-amino-4-(3-fluoropropyl)pentanedioic acid

(2S,4R)-2-amino-4-(3-fluoropropyl)pentanedioic acid (PubChem CID 88947507) has the molecular formula C8H14FNO4 and a molecular weight of 207.20 g/mol. Its IUPAC name is (2S,4R)-2-amino-4-(3-fluoropropyl)pentanedioic acid.

Molecular Properties

Compound Name(2S,4R)-2-amino-4-(3-fluoropropyl)pentanedioic acid
PubChem CID88947507
Molecular FormulaC8H14FNO4
Molecular Weight207.20 g/mol
Exact Mass207.09
IUPAC Name(2S,4R)-2-amino-4-(3-fluoropropyl)pentanedioic acid
SMILESN[C@@H](C[C@@H](CCCF)C(=O)O)C(=O)O
InChIInChI=1S/C8H14FNO4/c9-3-1-2-5(7(11)12)4-6(10)8(13)14/h5-6H,1-4,10H2,(H,11,12)(H,13,14)/t5-,6+/m1/s1
InChIKeyMKDNDKMECWBLOF-RITPCOANSA-N
XLogP0.24
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.20
LogP ≤ 50.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-4-(aminomethyl)pentanedioic acid
CID 22326353
(2S)-2-amino-4-dec-9-enylpentanedioic acid
CID 18396854
2-amino-4-[[4-(3-(18F)fluoropropyl)phenyl]methyl]pentanedioic acid
CID 70675128
(2S,4S)-2-amino-4-(5,5-diphenylpentyl)pentanedioic acid
CID 10339084
(2S)-2-amino-4-(2,2,2-trifluoroethyl)pentanedioic acid
CID 140641389
(2R)-2-amino-4-ethylpentanedioic acid
CID 57469863
(2S,4S)-2-amino-4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]pentanedioic acid
CID 89136384
2-amino-4-[[4-(3-(18F)fluoropropoxy)phenyl]methyl]pentanedioic acid
CID 70675127
(2S,4S)-2,5-diamino-4-(18F)fluoropentanoic acid
CID 46207589
(2R)-2-amino-4-(3-chlorohexyl)pentanedioic acid
CID 175027829
2,5-diamino-4-(3-fluoropropoxy)-5-oxopentanoic acid
CID 58185194
(2S,4S)-2-amino-5-fluoro-4-methylpentanoic acid
CID 15227560

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-2-amino-4-(3-fluoropropyl)pentanedioic acid?
The IUPAC name of (2S,4R)-2-amino-4-(3-fluoropropyl)pentanedioic acid (CID 88947507) is (2S,4R)-2-amino-4-(3-fluoropropyl)pentanedioic acid.
What is the SMILES notation for (2S,4R)-2-amino-4-(3-fluoropropyl)pentanedioic acid?
The canonical SMILES for (2S,4R)-2-amino-4-(3-fluoropropyl)pentanedioic acid is N[C@@H](C[C@@H](CCCF)C(=O)O)C(=O)O.
What is the InChIKey of (2S,4R)-2-amino-4-(3-fluoropropyl)pentanedioic acid?
The InChIKey is MKDNDKMECWBLOF-RITPCOANSA-N. The full InChI is InChI=1S/C8H14FNO4/c9-3-1-2-5(7(11)12)4-6(10)8(13)14/h5-6H,1-4,10H2,(H,11,12)(H,13,14)/t5-,6+/m1/s1.
What are the key properties of (2S,4R)-2-amino-4-(3-fluoropropyl)pentanedioic acid?
(2S,4R)-2-amino-4-(3-fluoropropyl)pentanedioic acid has a molecular weight of 207.20 g/mol, XLogP of 0.24, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-2-amino-4-(3-fluoropropyl)pentanedioic acid is sourced from PubChem (CID 88947507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).