(2S)-6-(2-diazohydrazinyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid

C11H21N5O4 — CID 131726550

IUPAC(2S)-6-(2-diazohydrazinyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid
SMILESCC(C)(C)OC(=O)N[C@@H](CCCCNN=[N+]=[N-])C(=O)O
InChIInChI=1S/C11H21N5O4/c1-11(2,3)20-10(19)14-8(9(17)18)6-4-5-7-13-16-15-12/h8,13H,4-7H2,1-3H3,(H,14,19)(H,17,18)/t8-/m0/s1
InChIKeyYOKIYMFCZGWBLT-QMMMGPOBSA-N
MW287.32 g/mol
LogP1.95
Rot. Bonds8

About (2S)-6-(2-diazohydrazinyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid

(2S)-6-(2-diazohydrazinyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid (PubChem CID 131726550) has the molecular formula C11H21N5O4 and a molecular weight of 287.32 g/mol. Its IUPAC name is (2S)-6-(2-diazohydrazinyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid.

Molecular Properties

Compound Name(2S)-6-(2-diazohydrazinyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid
PubChem CID131726550
Molecular FormulaC11H21N5O4
Molecular Weight287.32 g/mol
Exact Mass287.16
IUPAC Name(2S)-6-(2-diazohydrazinyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid
SMILESCC(C)(C)OC(=O)N[C@@H](CCCCNN=[N+]=[N-])C(=O)O
InChIInChI=1S/C11H21N5O4/c1-11(2,3)20-10(19)14-8(9(17)18)6-4-5-7-13-16-15-12/h8,13H,4-7H2,1-3H3,(H,14,19)(H,17,18)/t8-/m0/s1
InChIKeyYOKIYMFCZGWBLT-QMMMGPOBSA-N
XLogP1.95
TPSA136.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2S)-2,6-bis[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid;hydrochloride
CID 141497187
CID 163724094
CID 163724094
4-azido-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 18423821
(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-(propan-2-ylamino)hexanoic acid
CID 14840637
6-[2,6-bis[(2-methylpropan-2-yl)oxycarbonylamino]hexanoylamino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid
CID 58984404
(2S)-2-[(2-azidoacetyl)amino]-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid
CID 101413014
(2S)-2-[[(2S)-2,6-bis[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid
CID 86666530
(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]octanoic acid
CID 25131811
(2S)-6-iodo-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid
CID 87274670
[4-carboxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-trimethylazanium
CID 87539933
(2R)-6-(methanesulfonamido)-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid
CID 146257383
(2S)-5-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
CID 10728329

Frequently Asked Questions

What is the IUPAC name of (2S)-6-(2-diazohydrazinyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid?
The IUPAC name of (2S)-6-(2-diazohydrazinyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid (CID 131726550) is (2S)-6-(2-diazohydrazinyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid.
What is the SMILES notation for (2S)-6-(2-diazohydrazinyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid?
The canonical SMILES for (2S)-6-(2-diazohydrazinyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid is CC(C)(C)OC(=O)N[C@@H](CCCCNN=[N+]=[N-])C(=O)O.
What is the InChIKey of (2S)-6-(2-diazohydrazinyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid?
The InChIKey is YOKIYMFCZGWBLT-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H21N5O4/c1-11(2,3)20-10(19)14-8(9(17)18)6-4-5-7-13-16-15-12/h8,13H,4-7H2,1-3H3,(H,14,19)(H,17,18)/t8-/m0/s1.
What are the key properties of (2S)-6-(2-diazohydrazinyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid?
(2S)-6-(2-diazohydrazinyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid has a molecular weight of 287.32 g/mol, XLogP of 1.95, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-6-(2-diazohydrazinyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid is sourced from PubChem (CID 131726550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).