6-amino-2-imino-4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid

C12H23N3O4 — CID 174515371

IUPAC6-amino-2-imino-4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid
SMILES[H]/N=C(/CC(C)(CCN)NC(=O)OC(C)(C)C)C(=O)O
InChIInChI=1S/C12H23N3O4/c1-11(2,3)19-10(18)15-12(4,5-6-13)7-8(14)9(16)17/h14H,5-7,13H2,1-4H3,(H,15,18)(H,16,17)/b14-8-
InChIKeyGYSZFZXUMSHCMH-ZSOIEALJSA-N
MW273.33 g/mol
LogP1.11
Rot. Bonds6

About 6-amino-2-imino-4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid

6-amino-2-imino-4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid (PubChem CID 174515371) has the molecular formula C12H23N3O4 and a molecular weight of 273.33 g/mol. Its IUPAC name is 6-amino-2-imino-4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid.

Molecular Properties

Compound Name6-amino-2-imino-4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid
PubChem CID174515371
Molecular FormulaC12H23N3O4
Molecular Weight273.33 g/mol
Exact Mass273.17
IUPAC Name6-amino-2-imino-4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid
SMILES[H]/N=C(/CC(C)(CCN)NC(=O)OC(C)(C)C)C(=O)O
InChIInChI=1S/C12H23N3O4/c1-11(2,3)19-10(18)15-12(4,5-6-13)7-8(14)9(16)17/h14H,5-7,13H2,1-4H3,(H,15,18)(H,16,17)/b14-8-
InChIKeyGYSZFZXUMSHCMH-ZSOIEALJSA-N
XLogP1.11
TPSA125.50 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 51.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 6-amino-2-imino-4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid with MolForge

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Related Compounds

tert-butyl N-(1-amino-3-methylhexan-3-yl)carbamate
CID 151269852
tert-butyl N-[(2R)-1-amino-2-methylpentan-2-yl]carbamate
CID 129411644
2-imino-4,4-dimethylpentanoic acid
CID 148878932
5-amino-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
CID 10752948
tert-butyl N-(3-aminopropanimidoyl)carbamate
CID 165429833
tert-butyl N-(1-amino-2-methylpropan-2-yl)carbamate;hydrochloride
CID 45072479
tert-butyl N-(5-aminopent-2-ynyl)carbamate
CID 86698555
ethyl 3-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
CID 134372681
tert-butyl N-(1-amino-3-cyclopropyl-2-methylpropan-2-yl)carbamate
CID 84726052
acetic acid;tert-butyl N-(5-amino-5-iminopentyl)carbamate
CID 167720461
3-amino-4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
CID 165482152
tert-butyl N-(4-methylnonan-4-yl)carbamate
CID 130223651

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-imino-4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid?
The IUPAC name of 6-amino-2-imino-4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid (CID 174515371) is 6-amino-2-imino-4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid.
What is the SMILES notation for 6-amino-2-imino-4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid?
The canonical SMILES for 6-amino-2-imino-4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid is [H]/N=C(/CC(C)(CCN)NC(=O)OC(C)(C)C)C(=O)O.
What is the InChIKey of 6-amino-2-imino-4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid?
The InChIKey is GYSZFZXUMSHCMH-ZSOIEALJSA-N. The full InChI is InChI=1S/C12H23N3O4/c1-11(2,3)19-10(18)15-12(4,5-6-13)7-8(14)9(16)17/h14H,5-7,13H2,1-4H3,(H,15,18)(H,16,17)/b14-8-.
What are the key properties of 6-amino-2-imino-4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid?
6-amino-2-imino-4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid has a molecular weight of 273.33 g/mol, XLogP of 1.11, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-imino-4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid is sourced from PubChem (CID 174515371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).