2-[(3-amino-3-hydroxyiminopropyl)amino]ethyl carbamate

C6H14N4O3 — CID 83203983

IUPAC2-[(3-amino-3-hydroxyiminopropyl)amino]ethyl carbamate
SMILESNC(=O)OCCNCCC(N)=NO
InChIInChI=1S/C6H14N4O3/c7-5(10-12)1-2-9-3-4-13-6(8)11/h9,12H,1-4H2,(H2,7,10)(H2,8,11)
InChIKeyJHVGMYHXIMADPB-UHFFFAOYSA-N
MW190.20 g/mol
LogP-1.19
Rot. Bonds6

About 2-[(3-amino-3-hydroxyiminopropyl)amino]ethyl carbamate

2-[(3-amino-3-hydroxyiminopropyl)amino]ethyl carbamate (PubChem CID 83203983) has the molecular formula C6H14N4O3 and a molecular weight of 190.20 g/mol. Its IUPAC name is 2-[(3-amino-3-hydroxyiminopropyl)amino]ethyl carbamate.

Molecular Properties

Compound Name2-[(3-amino-3-hydroxyiminopropyl)amino]ethyl carbamate
PubChem CID83203983
Molecular FormulaC6H14N4O3
Molecular Weight190.20 g/mol
Exact Mass190.11
IUPAC Name2-[(3-amino-3-hydroxyiminopropyl)amino]ethyl carbamate
SMILESNC(=O)OCCNCCC(N)=NO
InChIInChI=1S/C6H14N4O3/c7-5(10-12)1-2-9-3-4-13-6(8)11/h9,12H,1-4H2,(H2,7,10)(H2,8,11)
InChIKeyJHVGMYHXIMADPB-UHFFFAOYSA-N
XLogP-1.19
TPSA122.96 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 5-1.19
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-[(2-amino-2-hydroxyiminoethyl)amino]ethyl carbamate
CID 83204997
2-[2-[(3-amino-3-hydroxyiminopropyl)amino]ethoxy]acetamide
CID 106237612
2-[(3-amino-3-oxopropyl)amino]ethyl carbamate
CID 83211468
2-(3-aminopropylamino)ethyl carbamate
CID 83209629
2-[2-[(5-amino-5-hydroxyiminopentyl)amino]ethoxy]acetamide
CID 106237637
5-(2-carbamoyloxyethylamino)pentanoic acid
CID 103262155
3-[(3-amino-3-hydroxyiminopropyl)amino]-N-cyclopropylpropanamide
CID 79401711
5-(2-ethoxyethylamino)-N'-hydroxypentanimidamide
CID 77027141
N'-hydroxy-4-(3-methoxypropylamino)butanimidamide
CID 77027942
3-(cyclohexylmethylamino)-N'-hydroxypropanimidamide
CID 77028587
2-(4-methylpentylamino)ethyl carbamate
CID 83210369
N'-hydroxy-3-[3-[methyl(propan-2-yl)amino]propylamino]propanimidamide
CID 106034016

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-3-hydroxyiminopropyl)amino]ethyl carbamate?
The IUPAC name of 2-[(3-amino-3-hydroxyiminopropyl)amino]ethyl carbamate (CID 83203983) is 2-[(3-amino-3-hydroxyiminopropyl)amino]ethyl carbamate.
What is the SMILES notation for 2-[(3-amino-3-hydroxyiminopropyl)amino]ethyl carbamate?
The canonical SMILES for 2-[(3-amino-3-hydroxyiminopropyl)amino]ethyl carbamate is NC(=O)OCCNCCC(N)=NO.
What is the InChIKey of 2-[(3-amino-3-hydroxyiminopropyl)amino]ethyl carbamate?
The InChIKey is JHVGMYHXIMADPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N4O3/c7-5(10-12)1-2-9-3-4-13-6(8)11/h9,12H,1-4H2,(H2,7,10)(H2,8,11).
What are the key properties of 2-[(3-amino-3-hydroxyiminopropyl)amino]ethyl carbamate?
2-[(3-amino-3-hydroxyiminopropyl)amino]ethyl carbamate has a molecular weight of 190.20 g/mol, XLogP of -1.19, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-3-hydroxyiminopropyl)amino]ethyl carbamate is sourced from PubChem (CID 83203983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).