3-amino-N,N-bis(2-hydroxyethyl)-3-hydroxyiminopropanamide

C7H15N3O4 — CID 61234870

IUPAC3-amino-N,N-bis(2-hydroxyethyl)-3-hydroxyiminopropanamide
SMILESNC(CC(=O)N(CCO)CCO)=NO
InChIInChI=1S/C7H15N3O4/c8-6(9-14)5-7(13)10(1-3-11)2-4-12/h11-12,14H,1-5H2,(H2,8,9)
InChIKeyZULNJDVKTPUEMV-UHFFFAOYSA-N
MW205.21 g/mol
LogP-2.06
Rot. Bonds6

About 3-amino-N,N-bis(2-hydroxyethyl)-3-hydroxyiminopropanamide

3-amino-N,N-bis(2-hydroxyethyl)-3-hydroxyiminopropanamide (PubChem CID 61234870) has the molecular formula C7H15N3O4 and a molecular weight of 205.21 g/mol. Its IUPAC name is 3-amino-N,N-bis(2-hydroxyethyl)-3-hydroxyiminopropanamide.

Molecular Properties

Compound Name3-amino-N,N-bis(2-hydroxyethyl)-3-hydroxyiminopropanamide
PubChem CID61234870
Molecular FormulaC7H15N3O4
Molecular Weight205.21 g/mol
Exact Mass205.11
IUPAC Name3-amino-N,N-bis(2-hydroxyethyl)-3-hydroxyiminopropanamide
SMILESNC(CC(=O)N(CCO)CCO)=NO
InChIInChI=1S/C7H15N3O4/c8-6(9-14)5-7(13)10(1-3-11)2-4-12/h11-12,14H,1-5H2,(H2,8,9)
InChIKeyZULNJDVKTPUEMV-UHFFFAOYSA-N
XLogP-2.06
TPSA119.38 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 5-2.06
H-Bond Donors ≤ 54
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_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N,N-bis(2-hydroxyethyl)-3-hydroxyiminopropanamide?
The IUPAC name of 3-amino-N,N-bis(2-hydroxyethyl)-3-hydroxyiminopropanamide (CID 61234870) is 3-amino-N,N-bis(2-hydroxyethyl)-3-hydroxyiminopropanamide.
What is the SMILES notation for 3-amino-N,N-bis(2-hydroxyethyl)-3-hydroxyiminopropanamide?
The canonical SMILES for 3-amino-N,N-bis(2-hydroxyethyl)-3-hydroxyiminopropanamide is NC(CC(=O)N(CCO)CCO)=NO.
What is the InChIKey of 3-amino-N,N-bis(2-hydroxyethyl)-3-hydroxyiminopropanamide?
The InChIKey is ZULNJDVKTPUEMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O4/c8-6(9-14)5-7(13)10(1-3-11)2-4-12/h11-12,14H,1-5H2,(H2,8,9).
What are the key properties of 3-amino-N,N-bis(2-hydroxyethyl)-3-hydroxyiminopropanamide?
3-amino-N,N-bis(2-hydroxyethyl)-3-hydroxyiminopropanamide has a molecular weight of 205.21 g/mol, XLogP of -2.06, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N,N-bis(2-hydroxyethyl)-3-hydroxyiminopropanamide is sourced from PubChem (CID 61234870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).