(2-amino-2-hydroxyiminoethyl)-tert-butylcarbamic acid

C7H15N3O3 — CID 131731324

IUPAC(2-amino-2-hydroxyiminoethyl)-tert-butylcarbamic acid
SMILESCC(C)(C)N(CC(N)=NO)C(=O)O
InChIInChI=1S/C7H15N3O3/c1-7(2,3)10(6(11)12)4-5(8)9-13/h13H,4H2,1-3H3,(H2,8,9)(H,11,12)
InChIKeyJFNFFFGQZVIYHW-UHFFFAOYSA-N
MW189.22 g/mol
LogP0.51
Rot. Bonds2

About (2-amino-2-hydroxyiminoethyl)-tert-butylcarbamic acid

(2-amino-2-hydroxyiminoethyl)-tert-butylcarbamic acid (PubChem CID 131731324) has the molecular formula C7H15N3O3 and a molecular weight of 189.22 g/mol. Its IUPAC name is (2-amino-2-hydroxyiminoethyl)-tert-butylcarbamic acid.

Molecular Properties

Compound Name(2-amino-2-hydroxyiminoethyl)-tert-butylcarbamic acid
PubChem CID131731324
Molecular FormulaC7H15N3O3
Molecular Weight189.22 g/mol
Exact Mass189.11
IUPAC Name(2-amino-2-hydroxyiminoethyl)-tert-butylcarbamic acid
SMILESCC(C)(C)N(CC(N)=NO)C(=O)O
InChIInChI=1S/C7H15N3O3/c1-7(2,3)10(6(11)12)4-5(8)9-13/h13H,4H2,1-3H3,(H2,8,9)(H,11,12)
InChIKeyJFNFFFGQZVIYHW-UHFFFAOYSA-N
XLogP0.51
TPSA99.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(1Z,2S)-1-amino-1-hydroxyiminopropan-2-yl]-tert-butylcarbamic acid
CID 57516530
[(1Z,2S)-1-acetyloxyimino-1-aminopropan-2-yl]-tert-butylcarbamic acid
CID 87380690
(3-Amino-3-hydroxyiminopropyl)-tert-butylcarbamic acid
CID 87562227
[(2S)-1-amino-1-hydroxyiminopropan-2-yl]-tert-butylcarbamic acid
CID 93502759
1,1-Dimethylethyl[2-(hydroxyamino)-2-iminoethyl]carbamate
CID 131731323
[(2S)-1-acetyloxyimino-1-aminopropan-2-yl]-tert-butylcarbamic acid
CID 173067942
(2-Amino-2-iminoethyl)-tert-butylcarbamic acid;hydrochloride
CID 176653299
tert-Butyl(1-(hydroxyamino)-1-iminopropan-2-yl)carbamicacid
CID 45091993
tert-Butyl(1-(hydroxyamino)-1-iminopropan-2-yl)carbamic acid
CID 76552934
methyl N-(2-amino-2-hydroxyiminoethyl)-N-propylcarbamate
CID 76927714
methyl N-(2-amino-2-hydroxyiminoethyl)-N-ethylcarbamate
CID 76929362
methyl N-(2-amino-2-hydroxyiminoethyl)-N-propan-2-ylcarbamate
CID 77038007

Frequently Asked Questions

What is the IUPAC name of (2-amino-2-hydroxyiminoethyl)-tert-butylcarbamic acid?
The IUPAC name of (2-amino-2-hydroxyiminoethyl)-tert-butylcarbamic acid (CID 131731324) is (2-amino-2-hydroxyiminoethyl)-tert-butylcarbamic acid.
What is the SMILES notation for (2-amino-2-hydroxyiminoethyl)-tert-butylcarbamic acid?
The canonical SMILES for (2-amino-2-hydroxyiminoethyl)-tert-butylcarbamic acid is CC(C)(C)N(CC(N)=NO)C(=O)O.
What is the InChIKey of (2-amino-2-hydroxyiminoethyl)-tert-butylcarbamic acid?
The InChIKey is JFNFFFGQZVIYHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O3/c1-7(2,3)10(6(11)12)4-5(8)9-13/h13H,4H2,1-3H3,(H2,8,9)(H,11,12).
What are the key properties of (2-amino-2-hydroxyiminoethyl)-tert-butylcarbamic acid?
(2-amino-2-hydroxyiminoethyl)-tert-butylcarbamic acid has a molecular weight of 189.22 g/mol, XLogP of 0.51, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-2-hydroxyiminoethyl)-tert-butylcarbamic acid is sourced from PubChem (CID 131731324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).