(2S)-2-(2-butoxycarbonylhydrazinyl)-5-methoxy-5-oxopentanoic acid

C11H20N2O6 — CID 87847873

IUPAC(2S)-2-(2-butoxycarbonylhydrazinyl)-5-methoxy-5-oxopentanoic acid
SMILESCCCCOC(=O)NN[C@@H](CCC(=O)OC)C(=O)O
InChIInChI=1S/C11H20N2O6/c1-3-4-7-19-11(17)13-12-8(10(15)16)5-6-9(14)18-2/h8,12H,3-7H2,1-2H3,(H,13,17)(H,15,16)/t8-/m0/s1
InChIKeyAOYOGJIZMCVPMD-QMMMGPOBSA-N
MW276.29 g/mol
LogP0.42
Rot. Bonds9

About (2S)-2-(2-butoxycarbonylhydrazinyl)-5-methoxy-5-oxopentanoic acid

(2S)-2-(2-butoxycarbonylhydrazinyl)-5-methoxy-5-oxopentanoic acid (PubChem CID 87847873) has the molecular formula C11H20N2O6 and a molecular weight of 276.29 g/mol. Its IUPAC name is (2S)-2-(2-butoxycarbonylhydrazinyl)-5-methoxy-5-oxopentanoic acid.

Molecular Properties

Compound Name(2S)-2-(2-butoxycarbonylhydrazinyl)-5-methoxy-5-oxopentanoic acid
PubChem CID87847873
Molecular FormulaC11H20N2O6
Molecular Weight276.29 g/mol
Exact Mass276.13
IUPAC Name(2S)-2-(2-butoxycarbonylhydrazinyl)-5-methoxy-5-oxopentanoic acid
SMILESCCCCOC(=O)NN[C@@H](CCC(=O)OC)C(=O)O
InChIInChI=1S/C11H20N2O6/c1-3-4-7-19-11(17)13-12-8(10(15)16)5-6-9(14)18-2/h8,12H,3-7H2,1-2H3,(H,13,17)(H,15,16)/t8-/m0/s1
InChIKeyAOYOGJIZMCVPMD-QMMMGPOBSA-N
XLogP0.42
TPSA113.96 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 50.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(butoxycarbonylamino)octanoic acid
CID 87548518
(2R)-2-(butoxycarbonylamino)-3-methylsulfanylpropanoic acid
CID 89488199
5-butoxy-5-oxo-2-(phenylmethoxycarbonylamino)pentanoic acid
CID 71289865
(2S)-5-methoxy-2-(methoxycarbonylsulfamoylamino)-5-oxopentanoic acid
CID 114005093
2-[[2-(2-aminoethoxy)acetyl]amino]-5-methoxy-5-oxopentanoic acid
CID 82786420
(2R)-5-methoxy-5-oxo-2-(pentylcarbamoylamino)pentanoic acid
CID 107825606
5-methoxy-2-methyl-5-oxopentanoic acid
CID 13192897
2-[(3-methoxy-3-oxopropyl)amino]hexanoic acid
CID 103240369
(2R)-2-[[butyl(methyl)carbamoyl]amino]-5-methoxy-5-oxopentanoic acid
CID 114005321
(2S)-5-methoxy-2-(methylamino)-5-oxopentanoic acid;hydrochloride
CID 122173679
(2S)-5-hexadecoxy-5-oxo-2-(tridecanoylamino)pentanoic acid
CID 174701519
10-O-butyl 1-O-methyl decanedioate
CID 22057000

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-butoxycarbonylhydrazinyl)-5-methoxy-5-oxopentanoic acid?
The IUPAC name of (2S)-2-(2-butoxycarbonylhydrazinyl)-5-methoxy-5-oxopentanoic acid (CID 87847873) is (2S)-2-(2-butoxycarbonylhydrazinyl)-5-methoxy-5-oxopentanoic acid.
What is the SMILES notation for (2S)-2-(2-butoxycarbonylhydrazinyl)-5-methoxy-5-oxopentanoic acid?
The canonical SMILES for (2S)-2-(2-butoxycarbonylhydrazinyl)-5-methoxy-5-oxopentanoic acid is CCCCOC(=O)NN[C@@H](CCC(=O)OC)C(=O)O.
What is the InChIKey of (2S)-2-(2-butoxycarbonylhydrazinyl)-5-methoxy-5-oxopentanoic acid?
The InChIKey is AOYOGJIZMCVPMD-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H20N2O6/c1-3-4-7-19-11(17)13-12-8(10(15)16)5-6-9(14)18-2/h8,12H,3-7H2,1-2H3,(H,13,17)(H,15,16)/t8-/m0/s1.
What are the key properties of (2S)-2-(2-butoxycarbonylhydrazinyl)-5-methoxy-5-oxopentanoic acid?
(2S)-2-(2-butoxycarbonylhydrazinyl)-5-methoxy-5-oxopentanoic acid has a molecular weight of 276.29 g/mol, XLogP of 0.42, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-butoxycarbonylhydrazinyl)-5-methoxy-5-oxopentanoic acid is sourced from PubChem (CID 87847873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).