3-ethyl-2-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]heptanoic acid

C14H28N2O4 — CID 170564896

IUPAC3-ethyl-2-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]heptanoic acid
SMILESCCCCC(CC)C(NNC(=O)OC(C)(C)C)C(=O)O
InChIInChI=1S/C14H28N2O4/c1-6-8-9-10(7-2)11(12(17)18)15-16-13(19)20-14(3,4)5/h10-11,15H,6-9H2,1-5H3,(H,16,19)(H,17,18)
InChIKeyOAYFASAMXSMXGP-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.69
Rot. Bonds8

About 3-ethyl-2-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]heptanoic acid

3-ethyl-2-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]heptanoic acid (PubChem CID 170564896) has the molecular formula C14H28N2O4 and a molecular weight of 288.39 g/mol. Its IUPAC name is 3-ethyl-2-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]heptanoic acid.

Molecular Properties

Compound Name3-ethyl-2-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]heptanoic acid
PubChem CID170564896
Molecular FormulaC14H28N2O4
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Name3-ethyl-2-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]heptanoic acid
SMILESCCCCC(CC)C(NNC(=O)OC(C)(C)C)C(=O)O
InChIInChI=1S/C14H28N2O4/c1-6-8-9-10(7-2)11(12(17)18)15-16-13(19)20-14(3,4)5/h10-11,15H,6-9H2,1-5H3,(H,16,19)(H,17,18)
InChIKeyOAYFASAMXSMXGP-UHFFFAOYSA-N
XLogP2.69
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[(3R)-3-amino-4-ethyloctyl]carbamate
CID 163702622
tert-butyl N-(2-methylpentan-3-ylamino)carbamate
CID 107237291
tert-butyl N-(1-butoxypropan-2-ylamino)carbamate
CID 172695076
tert-butyl N-decan-5-ylcarbamate
CID 174754300
(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
(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]octanoic acid
CID 25131811
ethyl 3-ethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]non-8-enoate
CID 123149564
tert-butyl N-(2-hydroxyhexyl)carbamate
CID 130004068
(2S)-2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]hexanoic acid
CID 131721921
tert-butyl N-(1-phenylbutylamino)carbamate
CID 107236962
(2R)-2-[[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]hexanoic acid
CID 87902559
(2R)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]octanoic acid
CID 102076905

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]heptanoic acid?
The IUPAC name of 3-ethyl-2-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]heptanoic acid (CID 170564896) is 3-ethyl-2-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]heptanoic acid.
What is the SMILES notation for 3-ethyl-2-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]heptanoic acid?
The canonical SMILES for 3-ethyl-2-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]heptanoic acid is CCCCC(CC)C(NNC(=O)OC(C)(C)C)C(=O)O.
What is the InChIKey of 3-ethyl-2-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]heptanoic acid?
The InChIKey is OAYFASAMXSMXGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O4/c1-6-8-9-10(7-2)11(12(17)18)15-16-13(19)20-14(3,4)5/h10-11,15H,6-9H2,1-5H3,(H,16,19)(H,17,18).
What are the key properties of 3-ethyl-2-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]heptanoic acid?
3-ethyl-2-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]heptanoic acid has a molecular weight of 288.39 g/mol, XLogP of 2.69, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]heptanoic acid is sourced from PubChem (CID 170564896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).