(2R,3R)-3-fluoro-2,5-bis[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid

C15H27FN2O6 — CID 123459730

IUPAC(2R,3R)-3-fluoro-2,5-bis[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
SMILESCC(C)(C)OC(=O)NCC[C@@H](F)[C@H](NC(=O)OC(C)(C)C)C(=O)O
InChIInChI=1S/C15H27FN2O6/c1-14(2,3)23-12(21)17-8-7-9(16)10(11(19)20)18-13(22)24-15(4,5)6/h9-10H,7-8H2,1-6H3,(H,17,21)(H,18,22)(H,19,20)/t9-,10+/m1/s1
InChIKeyFJXGPNXGKIGUCS-ZJUUUORDSA-N
MW350.39 g/mol
LogP2.22
Rot. Bonds6

About (2R,3R)-3-fluoro-2,5-bis[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid

(2R,3R)-3-fluoro-2,5-bis[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid (PubChem CID 123459730) has the molecular formula C15H27FN2O6 and a molecular weight of 350.39 g/mol. Its IUPAC name is (2R,3R)-3-fluoro-2,5-bis[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid.

Molecular Properties

Compound Name(2R,3R)-3-fluoro-2,5-bis[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
PubChem CID123459730
Molecular FormulaC15H27FN2O6
Molecular Weight350.39 g/mol
Exact Mass350.19
IUPAC Name(2R,3R)-3-fluoro-2,5-bis[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
SMILESCC(C)(C)OC(=O)NCC[C@@H](F)[C@H](NC(=O)OC(C)(C)C)C(=O)O
InChIInChI=1S/C15H27FN2O6/c1-14(2,3)23-12(21)17-8-7-9(16)10(11(19)20)18-13(22)24-15(4,5)6/h9-10H,7-8H2,1-6H3,(H,17,21)(H,18,22)(H,19,20)/t9-,10+/m1/s1
InChIKeyFJXGPNXGKIGUCS-ZJUUUORDSA-N
XLogP2.22
TPSA113.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.39
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2R,3R)-3-fluoro-2,5-bis[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid with MolForge

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Related Compounds

methyl 3-fluoro-2,5-bis[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
CID 75152414
3-methyl-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylcarbamoylamino]butanoic acid
CID 108864378
(2S)-2,6-bis[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid;hydrochloride
CID 141497187
(2S)-3,3-diamino-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 154966120
(2S,3R)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid;3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid;hydrate
CID 87795968
(2R)-2-methoxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid;hydrochloride
CID 138683443
3-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
CID 131165923
(2R,3R)-4-hydroxy-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 16743319
4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]butanoic acid
CID 174463288
tert-butyl N-[3-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]carbamate
CID 59367237
tert-butyl N-(3,3-dihydroxypropyl)carbamate
CID 89159940
5-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(trifluoromethyl)pentanoic acid
CID 50986501

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-fluoro-2,5-bis[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid?
The IUPAC name of (2R,3R)-3-fluoro-2,5-bis[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid (CID 123459730) is (2R,3R)-3-fluoro-2,5-bis[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid.
What is the SMILES notation for (2R,3R)-3-fluoro-2,5-bis[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid?
The canonical SMILES for (2R,3R)-3-fluoro-2,5-bis[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid is CC(C)(C)OC(=O)NCC[C@@H](F)[C@H](NC(=O)OC(C)(C)C)C(=O)O.
What is the InChIKey of (2R,3R)-3-fluoro-2,5-bis[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid?
The InChIKey is FJXGPNXGKIGUCS-ZJUUUORDSA-N. The full InChI is InChI=1S/C15H27FN2O6/c1-14(2,3)23-12(21)17-8-7-9(16)10(11(19)20)18-13(22)24-15(4,5)6/h9-10H,7-8H2,1-6H3,(H,17,21)(H,18,22)(H,19,20)/t9-,10+/m1/s1.
What are the key properties of (2R,3R)-3-fluoro-2,5-bis[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid?
(2R,3R)-3-fluoro-2,5-bis[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid has a molecular weight of 350.39 g/mol, XLogP of 2.22, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-fluoro-2,5-bis[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid is sourced from PubChem (CID 123459730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).