2-amino-N,N'-bis(2-hydroxyethyl)propanediamide

C7H15N3O4 — CID 173250932

IUPAC2-amino-N,N'-bis(2-hydroxyethyl)propanediamide
SMILESNC(C(=O)NCCO)C(=O)NCCO
InChIInChI=1S/C7H15N3O4/c8-5(6(13)9-1-3-11)7(14)10-2-4-12/h5,11-12H,1-4,8H2,(H,9,13)(H,10,14)
InChIKeyBGTGSTOQGSVPOR-UHFFFAOYSA-N
MW205.21 g/mol
LogP-3.47
Rot. Bonds6

About 2-amino-N,N'-bis(2-hydroxyethyl)propanediamide

2-amino-N,N'-bis(2-hydroxyethyl)propanediamide (PubChem CID 173250932) has the molecular formula C7H15N3O4 and a molecular weight of 205.21 g/mol. Its IUPAC name is 2-amino-N,N'-bis(2-hydroxyethyl)propanediamide.

Molecular Properties

Compound Name2-amino-N,N'-bis(2-hydroxyethyl)propanediamide
PubChem CID173250932
Molecular FormulaC7H15N3O4
Molecular Weight205.21 g/mol
Exact Mass205.11
IUPAC Name2-amino-N,N'-bis(2-hydroxyethyl)propanediamide
SMILESNC(C(=O)NCCO)C(=O)NCCO
InChIInChI=1S/C7H15N3O4/c8-5(6(13)9-1-3-11)7(14)10-2-4-12/h5,11-12H,1-4,8H2,(H,9,13)(H,10,14)
InChIKeyBGTGSTOQGSVPOR-UHFFFAOYSA-N
XLogP-3.47
TPSA124.68 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 5-3.47
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-amino-N,N'-diethylpropanediamide
CID 88901749
(2S)-2-amino-N-(2-hydroxyethyl)pentanamide
CID 89064333
2,2-dichloro-N-(2-hydroxyethyl)acetamide
CID 5228722
2-amino-2-cyclopropyl-N-(2-hydroxyethyl)acetamide
CID 131227802
3-amino-N-(2-hydroxyethyl)-2-methylpropanamide
CID 54555473
(2R)-2-amino-N-(2-hydroxyethyl)propanamide;2,2,2-trifluoroacetic acid
CID 86677924
2-amino-N-(2-hydroxyethyl)-4-methoxybutanamide
CID 62472987
ethane;2-hydroxyethylurea
CID 144763401
2,4-diethyl-N,N'-bis(2-hydroxyethyl)pentanediamide
CID 89382357
2-hydroxy-N-(2-hydroxyethyl)-3-methylbutanamide
CID 130024184
N,N'-bis(2-hydroxyethyl)-2,4-bis(sulfanyl)pentanediamide
CID 23104493
N-(2-hydroxyethyl)-2-methyl-3-oxobutanamide
CID 20648240

Frequently Asked Questions

What is the IUPAC name of 2-amino-N,N'-bis(2-hydroxyethyl)propanediamide?
The IUPAC name of 2-amino-N,N'-bis(2-hydroxyethyl)propanediamide (CID 173250932) is 2-amino-N,N'-bis(2-hydroxyethyl)propanediamide.
What is the SMILES notation for 2-amino-N,N'-bis(2-hydroxyethyl)propanediamide?
The canonical SMILES for 2-amino-N,N'-bis(2-hydroxyethyl)propanediamide is NC(C(=O)NCCO)C(=O)NCCO.
What is the InChIKey of 2-amino-N,N'-bis(2-hydroxyethyl)propanediamide?
The InChIKey is BGTGSTOQGSVPOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O4/c8-5(6(13)9-1-3-11)7(14)10-2-4-12/h5,11-12H,1-4,8H2,(H,9,13)(H,10,14).
What are the key properties of 2-amino-N,N'-bis(2-hydroxyethyl)propanediamide?
2-amino-N,N'-bis(2-hydroxyethyl)propanediamide has a molecular weight of 205.21 g/mol, XLogP of -3.47, 6 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N,N'-bis(2-hydroxyethyl)propanediamide is sourced from PubChem (CID 173250932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).