2-amino-N-(2,2-dihydroxyethyl)butanediamide

C6H13N3O4 — CID 154111575

IUPAC2-amino-N-(2,2-dihydroxyethyl)butanediamide
SMILESNC(=O)CC(N)C(=O)NCC(O)O
InChIInChI=1S/C6H13N3O4/c7-3(1-4(8)10)6(13)9-2-5(11)12/h3,5,11-12H,1-2,7H2,(H2,8,10)(H,9,13)
InChIKeyXOZZVTZRMJPFBR-UHFFFAOYSA-N
MW191.19 g/mol
LogP-3.38
Rot. Bonds5

About 2-amino-N-(2,2-dihydroxyethyl)butanediamide

2-amino-N-(2,2-dihydroxyethyl)butanediamide (PubChem CID 154111575) has the molecular formula C6H13N3O4 and a molecular weight of 191.19 g/mol. Its IUPAC name is 2-amino-N-(2,2-dihydroxyethyl)butanediamide.

Molecular Properties

Compound Name2-amino-N-(2,2-dihydroxyethyl)butanediamide
PubChem CID154111575
Molecular FormulaC6H13N3O4
Molecular Weight191.19 g/mol
Exact Mass191.09
IUPAC Name2-amino-N-(2,2-dihydroxyethyl)butanediamide
SMILESNC(=O)CC(N)C(=O)NCC(O)O
InChIInChI=1S/C6H13N3O4/c7-3(1-4(8)10)6(13)9-2-5(11)12/h3,5,11-12H,1-2,7H2,(H2,8,10)(H,9,13)
InChIKeyXOZZVTZRMJPFBR-UHFFFAOYSA-N
XLogP-3.38
TPSA138.67 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 5-3.38
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-[(2,4-diamino-4-oxobutanoyl)amino]-2-hydroxypropanoic acid
CID 66168013
2-amino-N-(2-cyclopropyl-2-hydroxyethyl)butanediamide
CID 63296967
2-amino-N-(2-methylbutyl)butanediamide
CID 62692665
2-amino-N-(3-hydroxybutyl)butanediamide
CID 64912890
2-[[(2,4-diamino-4-oxobutanoyl)amino]methyl]butanoic acid
CID 65224539
2-[[(2,4-diamino-4-oxobutanoyl)amino]methyl]-3-methylbutanoic acid
CID 65224533
2-amino-N-carbamoylbutanediamide
CID 79194218
2-amino-N-(3-oxo-3-pyrrolidin-1-ylpropyl)butanediamide
CID 61248901
(2S)-2-amino-N-[(2-hydroxyphenyl)methyl]butanediamide
CID 96913231
2-[(2,4-diamino-4-oxobutanoyl)amino]ethyl-methylcarbamic acid
CID 87306158
2-amino-N-[2-(cyclopropanecarbonylamino)ethyl]butanediamide
CID 113288241
2-amino-N-(3-methylsulfinylbutyl)butanediamide
CID 115751165

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2,2-dihydroxyethyl)butanediamide?
The IUPAC name of 2-amino-N-(2,2-dihydroxyethyl)butanediamide (CID 154111575) is 2-amino-N-(2,2-dihydroxyethyl)butanediamide.
What is the SMILES notation for 2-amino-N-(2,2-dihydroxyethyl)butanediamide?
The canonical SMILES for 2-amino-N-(2,2-dihydroxyethyl)butanediamide is NC(=O)CC(N)C(=O)NCC(O)O.
What is the InChIKey of 2-amino-N-(2,2-dihydroxyethyl)butanediamide?
The InChIKey is XOZZVTZRMJPFBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3O4/c7-3(1-4(8)10)6(13)9-2-5(11)12/h3,5,11-12H,1-2,7H2,(H2,8,10)(H,9,13).
What are the key properties of 2-amino-N-(2,2-dihydroxyethyl)butanediamide?
2-amino-N-(2,2-dihydroxyethyl)butanediamide has a molecular weight of 191.19 g/mol, XLogP of -3.38, 5 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2,2-dihydroxyethyl)butanediamide is sourced from PubChem (CID 154111575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).