tert-butyl N-[(2S)-3-hydroxy-1-oxo-1-[2-(2,2,2-trifluoroacetyl)hydrazinyl]propan-2-yl]carbamate

C10H16F3N3O5 — CID 14789458

IUPACtert-butyl N-[(2S)-3-hydroxy-1-oxo-1-[2-(2,2,2-trifluoroacetyl)hydrazinyl]propan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H](CO)C(=O)NNC(=O)C(F)(F)F
InChIInChI=1S/C10H16F3N3O5/c1-9(2,3)21-8(20)14-5(4-17)6(18)15-16-7(19)10(11,12)13/h5,17H,4H2,1-3H3,(H,14,20)(H,15,18)(H,16,19)/t5-/m0/s1
InChIKeyKVOFZDNLQTZDPW-YFKPBYRVSA-N
MW315.25 g/mol
LogP-0.42
Rot. Bonds3

About tert-butyl N-[(2S)-3-hydroxy-1-oxo-1-[2-(2,2,2-trifluoroacetyl)hydrazinyl]propan-2-yl]carbamate

tert-butyl N-[(2S)-3-hydroxy-1-oxo-1-[2-(2,2,2-trifluoroacetyl)hydrazinyl]propan-2-yl]carbamate (PubChem CID 14789458) has the molecular formula C10H16F3N3O5 and a molecular weight of 315.25 g/mol. Its IUPAC name is tert-butyl N-[(2S)-3-hydroxy-1-oxo-1-[2-(2,2,2-trifluoroacetyl)hydrazinyl]propan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S)-3-hydroxy-1-oxo-1-[2-(2,2,2-trifluoroacetyl)hydrazinyl]propan-2-yl]carbamate
PubChem CID14789458
Molecular FormulaC10H16F3N3O5
Molecular Weight315.25 g/mol
Exact Mass315.10
IUPAC Nametert-butyl N-[(2S)-3-hydroxy-1-oxo-1-[2-(2,2,2-trifluoroacetyl)hydrazinyl]propan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H](CO)C(=O)NNC(=O)C(F)(F)F
InChIInChI=1S/C10H16F3N3O5/c1-9(2,3)21-8(20)14-5(4-17)6(18)15-16-7(19)10(11,12)13/h5,17H,4H2,1-3H3,(H,14,20)(H,15,18)(H,16,19)/t5-/m0/s1
InChIKeyKVOFZDNLQTZDPW-YFKPBYRVSA-N
XLogP-0.42
TPSA116.76 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.25
LogP ≤ 5-0.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[(2R)-3-hydroxy-1-(hydroxyamino)-1-oxopropan-2-yl]carbamate
CID 87558504
tert-butyl N-[3-hydroxy-1-(2-hydroxyethylamino)-1-oxopropan-2-yl]carbamate
CID 22253941
tert-butyl N-[(2S)-1-(2-aminoethylamino)-3-hydroxy-1-oxopropan-2-yl]carbamate
CID 10800508
tert-butyl N-[(2S)-3-hydroxy-1-oxo-1-(prop-2-enylamino)propan-2-yl]carbamate
CID 10610298
tert-butyl N-[(2S)-4,4,4-trifluoro-1-hydroxy-3-methylbutan-2-yl]carbamate
CID 87666537
tert-butyl N-[(2S,3S)-4,4,4-trifluoro-1-hydroxy-3-methylbutan-2-yl]carbamate
CID 10978099
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-[(2,2,2-trifluoroacetyl)amino]pentanoyl]amino]-5-[(2,2,2-trifluoroacetyl)amino]pentanoyl]amino]-5-[(2,2,2-trifluoroacetyl)amino]pentanoyl]amino]-5-[(2,2,2-trifluoroacetyl)amino]pentanoic acid
CID 11343618
(2S)-4,4-difluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
CID 54117720
3-hydroxy-2-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoic acid
CID 141364905
tert-butyl N-[(2S)-1-[[(2S)-3-hydroxy-1-(methylamino)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 102247378
tert-butyl N-[(2S)-1-[[(2S)-1-(2-acetylhydrazinyl)-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate
CID 7256542
tert-butyl N-[(2R)-1-oxo-1-[2-(2,2,2-trifluoroacetyl)hydrazinyl]propan-2-yl]carbamate;(1R)-1-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 158763677

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S)-3-hydroxy-1-oxo-1-[2-(2,2,2-trifluoroacetyl)hydrazinyl]propan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2S)-3-hydroxy-1-oxo-1-[2-(2,2,2-trifluoroacetyl)hydrazinyl]propan-2-yl]carbamate (CID 14789458) is tert-butyl N-[(2S)-3-hydroxy-1-oxo-1-[2-(2,2,2-trifluoroacetyl)hydrazinyl]propan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S)-3-hydroxy-1-oxo-1-[2-(2,2,2-trifluoroacetyl)hydrazinyl]propan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2S)-3-hydroxy-1-oxo-1-[2-(2,2,2-trifluoroacetyl)hydrazinyl]propan-2-yl]carbamate is CC(C)(C)OC(=O)N[C@@H](CO)C(=O)NNC(=O)C(F)(F)F.
What is the InChIKey of tert-butyl N-[(2S)-3-hydroxy-1-oxo-1-[2-(2,2,2-trifluoroacetyl)hydrazinyl]propan-2-yl]carbamate?
The InChIKey is KVOFZDNLQTZDPW-YFKPBYRVSA-N. The full InChI is InChI=1S/C10H16F3N3O5/c1-9(2,3)21-8(20)14-5(4-17)6(18)15-16-7(19)10(11,12)13/h5,17H,4H2,1-3H3,(H,14,20)(H,15,18)(H,16,19)/t5-/m0/s1.
What are the key properties of tert-butyl N-[(2S)-3-hydroxy-1-oxo-1-[2-(2,2,2-trifluoroacetyl)hydrazinyl]propan-2-yl]carbamate?
tert-butyl N-[(2S)-3-hydroxy-1-oxo-1-[2-(2,2,2-trifluoroacetyl)hydrazinyl]propan-2-yl]carbamate has a molecular weight of 315.25 g/mol, XLogP of -0.42, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S)-3-hydroxy-1-oxo-1-[2-(2,2,2-trifluoroacetyl)hydrazinyl]propan-2-yl]carbamate is sourced from PubChem (CID 14789458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).