2-[(2-amino-2-hydroxyiminoethyl)amino]ethyl carbamate

C5H12N4O3 — CID 83204997

IUPAC2-[(2-amino-2-hydroxyiminoethyl)amino]ethyl carbamate
SMILESNC(=O)OCCNCC(N)=NO
InChIInChI=1S/C5H12N4O3/c6-4(9-11)3-8-1-2-12-5(7)10/h8,11H,1-3H2,(H2,6,9)(H2,7,10)
InChIKeyHHQRCQATPLMGAU-UHFFFAOYSA-N
MW176.18 g/mol
LogP-1.58
Rot. Bonds5

About 2-[(2-amino-2-hydroxyiminoethyl)amino]ethyl carbamate

2-[(2-amino-2-hydroxyiminoethyl)amino]ethyl carbamate (PubChem CID 83204997) has the molecular formula C5H12N4O3 and a molecular weight of 176.18 g/mol. Its IUPAC name is 2-[(2-amino-2-hydroxyiminoethyl)amino]ethyl carbamate.

Molecular Properties

Compound Name2-[(2-amino-2-hydroxyiminoethyl)amino]ethyl carbamate
PubChem CID83204997
Molecular FormulaC5H12N4O3
Molecular Weight176.18 g/mol
Exact Mass176.09
IUPAC Name2-[(2-amino-2-hydroxyiminoethyl)amino]ethyl carbamate
SMILESNC(=O)OCCNCC(N)=NO
InChIInChI=1S/C5H12N4O3/c6-4(9-11)3-8-1-2-12-5(7)10/h8,11H,1-3H2,(H2,6,9)(H2,7,10)
InChIKeyHHQRCQATPLMGAU-UHFFFAOYSA-N
XLogP-1.58
TPSA122.96 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.18
LogP ≤ 5-1.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

2-[(3-amino-3-hydroxyiminopropyl)amino]ethyl carbamate
CID 83203983
2-(2-bromoprop-2-enylamino)ethyl carbamate
CID 83211675
2-[(2-amino-2-hydroxyiminoethyl)amino]acetamide
CID 77027895
ethyl 2-(2-carbamoyloxyethylamino)acetate
CID 83209785
N'-hydroxy-2-(propylamino)ethanimidamide
CID 60711995
2-[(3-amino-3-oxopropyl)amino]ethyl carbamate
CID 83211468
2-(3-aminopropylamino)ethyl carbamate
CID 83209629
N'-hydroxy-2-(4-propan-2-yloxybutylamino)ethanimidamide
CID 106011945
2-[2-[(3-amino-3-hydroxyiminopropyl)amino]ethoxy]acetamide
CID 106237612
5-(2-carbamoyloxyethylamino)pentanoic acid
CID 103262155
3-[(2-amino-2-hydroxyiminoethyl)amino]-N-butan-2-ylpropanamide
CID 77030584
2-[[4-[(Z)-N'-hydroxycarbamimidoyl]-3-methoxyphenyl]methylamino]ethyl carbamate
CID 106789955

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-2-hydroxyiminoethyl)amino]ethyl carbamate?
The IUPAC name of 2-[(2-amino-2-hydroxyiminoethyl)amino]ethyl carbamate (CID 83204997) is 2-[(2-amino-2-hydroxyiminoethyl)amino]ethyl carbamate.
What is the SMILES notation for 2-[(2-amino-2-hydroxyiminoethyl)amino]ethyl carbamate?
The canonical SMILES for 2-[(2-amino-2-hydroxyiminoethyl)amino]ethyl carbamate is NC(=O)OCCNCC(N)=NO.
What is the InChIKey of 2-[(2-amino-2-hydroxyiminoethyl)amino]ethyl carbamate?
The InChIKey is HHQRCQATPLMGAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N4O3/c6-4(9-11)3-8-1-2-12-5(7)10/h8,11H,1-3H2,(H2,6,9)(H2,7,10).
What are the key properties of 2-[(2-amino-2-hydroxyiminoethyl)amino]ethyl carbamate?
2-[(2-amino-2-hydroxyiminoethyl)amino]ethyl carbamate has a molecular weight of 176.18 g/mol, XLogP of -1.58, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-2-hydroxyiminoethyl)amino]ethyl carbamate is sourced from PubChem (CID 83204997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).