4-[(1R)-1-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]ethyl]benzoic acid

C14H20N2O4 — CID 124664887

IUPAC4-[(1R)-1-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]ethyl]benzoic acid
SMILESC[C@@H](NNC(=O)OC(C)(C)C)c1ccc(C(=O)O)cc1
InChIInChI=1S/C14H20N2O4/c1-9(15-16-13(19)20-14(2,3)4)10-5-7-11(8-6-10)12(17)18/h5-9,15H,1-4H3,(H,16,19)(H,17,18)/t9-/m1/s1
InChIKeyRJCGGJOIRGUQKT-SECBINFHSA-N
MW280.32 g/mol
LogP2.48
Rot. Bonds4

About 4-[(1R)-1-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]ethyl]benzoic acid

4-[(1R)-1-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]ethyl]benzoic acid (PubChem CID 124664887) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 4-[(1R)-1-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]ethyl]benzoic acid.

Molecular Properties

Compound Name4-[(1R)-1-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]ethyl]benzoic acid
PubChem CID124664887
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name4-[(1R)-1-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]ethyl]benzoic acid
SMILESC[C@@H](NNC(=O)OC(C)(C)C)c1ccc(C(=O)O)cc1
InChIInChI=1S/C14H20N2O4/c1-9(15-16-13(19)20-14(2,3)4)10-5-7-11(8-6-10)12(17)18/h5-9,15H,1-4H3,(H,16,19)(H,17,18)/t9-/m1/s1
InChIKeyRJCGGJOIRGUQKT-SECBINFHSA-N
XLogP2.48
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[(1R)-1-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]ethyl]benzoic acid with MolForge

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Related Compounds

tert-butyl N-(1-pyridin-4-ylethylamino)carbamate
CID 16732605
tert-butyl N-[1-(4-propylphenyl)ethylamino]carbamate
CID 107236879
tert-butyl N-[1-(3,4-dichlorophenyl)ethylamino]carbamate
CID 107236972
4-[1-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]benzoic acid
CID 23586222
tert-butyl N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]carbamate
CID 107236604
tert-butyl N-[1-(4-chloro-3-fluorophenyl)ethylamino]carbamate
CID 107237052
tert-butyl N-[1-(4-methyl-3-nitrophenyl)ethylamino]carbamate
CID 107236963
tert-butyl N-[(1R)-1-(4-bromophenyl)ethyl]carbamate
CID 52987808
4-[(1R)-1-(methylamino)ethyl]benzoic acid
CID 55276325
tert-butyl N-[(1S)-1-(4-bromophenyl)ethyl]carbamate;sulfane
CID 158971973
tert-butyl N-[(1R)-1-phenylethyl]carbamate;ethane
CID 143116605
tert-butyl N-[1-(4-fluorophenyl)ethyl]carbamate
CID 63787964

Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-1-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]ethyl]benzoic acid?
The IUPAC name of 4-[(1R)-1-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]ethyl]benzoic acid (CID 124664887) is 4-[(1R)-1-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]ethyl]benzoic acid.
What is the SMILES notation for 4-[(1R)-1-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]ethyl]benzoic acid?
The canonical SMILES for 4-[(1R)-1-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]ethyl]benzoic acid is C[C@@H](NNC(=O)OC(C)(C)C)c1ccc(C(=O)O)cc1.
What is the InChIKey of 4-[(1R)-1-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]ethyl]benzoic acid?
The InChIKey is RJCGGJOIRGUQKT-SECBINFHSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-9(15-16-13(19)20-14(2,3)4)10-5-7-11(8-6-10)12(17)18/h5-9,15H,1-4H3,(H,16,19)(H,17,18)/t9-/m1/s1.
What are the key properties of 4-[(1R)-1-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]ethyl]benzoic acid?
4-[(1R)-1-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]ethyl]benzoic acid has a molecular weight of 280.32 g/mol, XLogP of 2.48, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-1-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]ethyl]benzoic acid is sourced from PubChem (CID 124664887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).