[[1-amino-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propylidene]amino] acetate

C11H21N3O4 — CID 154824350

IUPAC[[1-amino-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propylidene]amino] acetate
SMILESCC(=O)ON=C(N)C(C)(C)NC(=O)OC(C)(C)C
InChIInChI=1S/C11H21N3O4/c1-7(15)18-14-8(12)11(5,6)13-9(16)17-10(2,3)4/h1-6H3,(H2,12,14)(H,13,16)
InChIKeyNQZPYGZPBCRLSP-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.12
Rot. Bonds3

About [[1-amino-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propylidene]amino] acetate

[[1-amino-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propylidene]amino] acetate (PubChem CID 154824350) has the molecular formula C11H21N3O4 and a molecular weight of 259.31 g/mol. Its IUPAC name is [[1-amino-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propylidene]amino] acetate.

Molecular Properties

Compound Name[[1-amino-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propylidene]amino] acetate
PubChem CID154824350
Molecular FormulaC11H21N3O4
Molecular Weight259.31 g/mol
Exact Mass259.15
IUPAC Name[[1-amino-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propylidene]amino] acetate
SMILESCC(=O)ON=C(N)C(C)(C)NC(=O)OC(C)(C)C
InChIInChI=1S/C11H21N3O4/c1-7(15)18-14-8(12)11(5,6)13-9(16)17-10(2,3)4/h1-6H3,(H2,12,14)(H,13,16)
InChIKeyNQZPYGZPBCRLSP-UHFFFAOYSA-N
XLogP1.12
TPSA103.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[1-(N'-hydroxycarbamimidoyl)-1-methylethyl]carbamate
CID 61324195
tert-butyl N-(1-carbamimidoyl-1-methylethyl)carbamate
CID 61430241
t-Butyl [1-amino-1-(hydroxyimino)-2-methylbutan-2-yl]carbamate
CID 76898059
t-Butyl {1-[(acetoxy)imino]-1-amino-2-methylbutan-2-yl}carbamate
CID 154824359
(Z)-tert-Butyl 1-amino-1-(hydroxyimino)-2-methylpropan-2-ylcarbamate
CID 56828012
tert-butyl [(2Z)-2-amino-2-(hydroxyimino)-1,1-dimethylethyl]carbamate
CID 76415185
[1-(N-Hydroxy-carbamimidoyl)-cyclopropyl]-carbamic acid tert-butyl ester
CID 86657589
tert-Butyl {(1S,2Z)-2-[(acetyloxy)imino]-2-amino-1-methylethyl}carbamate
CID 86706670
tert-butyl N-[1-(N'-hydroxycarbamimidoyl)cyclopropyl]carbamate
CID 87382525
tert-Butyl (1-amino-1-imino-2-methylpropan-2-yl)carbamate acetate
CID 121552606
[[(2S)-1-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]propylidene]amino] acetate
CID 123914126
Tert-butyl N-[1-[(E)-N'-hydroxycarbamimidoyl]cyclopropyl]carbamate
CID 132327796

Frequently Asked Questions

What is the IUPAC name of [[1-amino-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propylidene]amino] acetate?
The IUPAC name of [[1-amino-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propylidene]amino] acetate (CID 154824350) is [[1-amino-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propylidene]amino] acetate.
What is the SMILES notation for [[1-amino-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propylidene]amino] acetate?
The canonical SMILES for [[1-amino-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propylidene]amino] acetate is CC(=O)ON=C(N)C(C)(C)NC(=O)OC(C)(C)C.
What is the InChIKey of [[1-amino-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propylidene]amino] acetate?
The InChIKey is NQZPYGZPBCRLSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O4/c1-7(15)18-14-8(12)11(5,6)13-9(16)17-10(2,3)4/h1-6H3,(H2,12,14)(H,13,16).
What are the key properties of [[1-amino-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propylidene]amino] acetate?
[[1-amino-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propylidene]amino] acetate has a molecular weight of 259.31 g/mol, XLogP of 1.12, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [[1-amino-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propylidene]amino] acetate is sourced from PubChem (CID 154824350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).