amino 3-carbamoyloxy-2-methylpropanoate

C5H10N2O4 — CID 147855282

IUPACamino 3-carbamoyloxy-2-methylpropanoate
SMILESCC(COC(N)=O)C(=O)ON
InChIInChI=1S/C5H10N2O4/c1-3(4(8)11-7)2-10-5(6)9/h3H,2,7H2,1H3,(H2,6,9)
InChIKeyUCIFRCAZSXEJOW-UHFFFAOYSA-N
MW162.15 g/mol
LogP-0.87
Rot. Bonds3

About amino 3-carbamoyloxy-2-methylpropanoate

amino 3-carbamoyloxy-2-methylpropanoate (PubChem CID 147855282) has the molecular formula C5H10N2O4 and a molecular weight of 162.15 g/mol. Its IUPAC name is amino 3-carbamoyloxy-2-methylpropanoate.

Molecular Properties

Compound Nameamino 3-carbamoyloxy-2-methylpropanoate
PubChem CID147855282
Molecular FormulaC5H10N2O4
Molecular Weight162.15 g/mol
Exact Mass162.06
IUPAC Nameamino 3-carbamoyloxy-2-methylpropanoate
SMILESCC(COC(N)=O)C(=O)ON
InChIInChI=1S/C5H10N2O4/c1-3(4(8)11-7)2-10-5(6)9/h3H,2,7H2,1H3,(H2,6,9)
InChIKeyUCIFRCAZSXEJOW-UHFFFAOYSA-N
XLogP-0.87
TPSA104.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.15
LogP ≤ 5-0.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-iodopropyl carbamate
CID 87289235
[3-methyl-2-(methylamino)butyl] carbamate
CID 174859482
2-hydroxypropyl carbamate;2-methylprop-2-enoic acid
CID 19939665
diamino 2,3-dimethylbutanedioate
CID 22892701
[3-(aminomethoxy)-2-methylpropyl] carbamate
CID 163953262
[(2S)-3-amino-2-methyl-3-oxopropyl] acetate
CID 11205829
[(2R)-2-hydroxy-3,3-dimethylbutyl] carbamate
CID 175027230
5-methoxy-4-methyl-2,5-dioxopentanoic acid
CID 174869002
[(2S)-2,3-dihydroxypropyl] carbamate
CID 141178909
(3-amino-2-hydroxypropyl) carbamate
CID 87536011
(2-amino-3,5,5-trimethylhexyl) carbamate
CID 174805404
[(2R)-2-phenylpropyl] carbamate
CID 175384997

Frequently Asked Questions

What is the IUPAC name of amino 3-carbamoyloxy-2-methylpropanoate?
The IUPAC name of amino 3-carbamoyloxy-2-methylpropanoate (CID 147855282) is amino 3-carbamoyloxy-2-methylpropanoate.
What is the SMILES notation for amino 3-carbamoyloxy-2-methylpropanoate?
The canonical SMILES for amino 3-carbamoyloxy-2-methylpropanoate is CC(COC(N)=O)C(=O)ON.
What is the InChIKey of amino 3-carbamoyloxy-2-methylpropanoate?
The InChIKey is UCIFRCAZSXEJOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O4/c1-3(4(8)11-7)2-10-5(6)9/h3H,2,7H2,1H3,(H2,6,9).
What are the key properties of amino 3-carbamoyloxy-2-methylpropanoate?
amino 3-carbamoyloxy-2-methylpropanoate has a molecular weight of 162.15 g/mol, XLogP of -0.87, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for amino 3-carbamoyloxy-2-methylpropanoate is sourced from PubChem (CID 147855282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).