2-[ethyl(hydroxy)amino]butanediamide

C6H13N3O3 — CID 87074702

IUPAC2-[ethyl(hydroxy)amino]butanediamide
SMILESCCN(O)C(CC(N)=O)C(N)=O
InChIInChI=1S/C6H13N3O3/c1-2-9(12)4(6(8)11)3-5(7)10/h4,12H,2-3H2,1H3,(H2,7,10)(H2,8,11)
InChIKeyCGFYQUFDIRLQIJ-UHFFFAOYSA-N
MW175.19 g/mol
LogP-1.57
Rot. Bonds5

About 2-[ethyl(hydroxy)amino]butanediamide

2-[ethyl(hydroxy)amino]butanediamide (PubChem CID 87074702) has the molecular formula C6H13N3O3 and a molecular weight of 175.19 g/mol. Its IUPAC name is 2-[ethyl(hydroxy)amino]butanediamide.

Molecular Properties

Compound Name2-[ethyl(hydroxy)amino]butanediamide
PubChem CID87074702
Molecular FormulaC6H13N3O3
Molecular Weight175.19 g/mol
Exact Mass175.10
IUPAC Name2-[ethyl(hydroxy)amino]butanediamide
SMILESCCN(O)C(CC(N)=O)C(N)=O
InChIInChI=1S/C6H13N3O3/c1-2-9(12)4(6(8)11)3-5(7)10/h4,12H,2-3H2,1H3,(H2,7,10)(H2,8,11)
InChIKeyCGFYQUFDIRLQIJ-UHFFFAOYSA-N
XLogP-1.57
TPSA109.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 5-1.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-[ethyl(hydroxy)amino]butanediamide;phenol
CID 87060830
3-amino-2-[ethyl(hydroxy)amino]propanoic acid
CID 130825760
(2S)-2-(N-ethyl-4-hydroxyanilino)butanediamide
CID 174643242
3-methylbutanamide
CID 87933309
2-[ethyl(2-hydroxyethyl)amino]butanamide
CID 62900659
(2S)-4-amino-2-[carboxy(methyl)amino]-4-oxobutanoic acid
CID 175100388
2-[methyl(propyl)amino]butanamide
CID 62900463
3-[(1-amino-1-oxobutan-2-yl)-ethylamino]propanoic acid
CID 62900252
(2S)-4-amino-2-[bromo(propanoyl)amino]-4-oxobutanoic acid
CID 88680879
2-[2-hydroxypropyl(methyl)amino]butanamide
CID 62901231
3-methylbutanamide;propanal
CID 145275365
4-amino-2-(dichloroamino)-4-oxobutanoic acid
CID 87518642

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(hydroxy)amino]butanediamide?
The IUPAC name of 2-[ethyl(hydroxy)amino]butanediamide (CID 87074702) is 2-[ethyl(hydroxy)amino]butanediamide.
What is the SMILES notation for 2-[ethyl(hydroxy)amino]butanediamide?
The canonical SMILES for 2-[ethyl(hydroxy)amino]butanediamide is CCN(O)C(CC(N)=O)C(N)=O.
What is the InChIKey of 2-[ethyl(hydroxy)amino]butanediamide?
The InChIKey is CGFYQUFDIRLQIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3O3/c1-2-9(12)4(6(8)11)3-5(7)10/h4,12H,2-3H2,1H3,(H2,7,10)(H2,8,11).
What are the key properties of 2-[ethyl(hydroxy)amino]butanediamide?
2-[ethyl(hydroxy)amino]butanediamide has a molecular weight of 175.19 g/mol, XLogP of -1.57, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(hydroxy)amino]butanediamide is sourced from PubChem (CID 87074702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).