2-[4-(1-amino-1-oxobutan-2-yl)-6-hydroxy-1,4-diazepan-1-yl]butanamide

C13H26N4O3 — CID 136518009

IUPAC2-[4-(1-amino-1-oxobutan-2-yl)-6-hydroxy-1,4-diazepan-1-yl]butanamide
SMILESCCC(C(N)=O)N1CCN(C(CC)C(N)=O)CC(O)C1
InChIInChI=1S/C13H26N4O3/c1-3-10(12(14)19)16-5-6-17(8-9(18)7-16)11(4-2)13(15)20/h9-11,18H,3-8H2,1-2H3,(H2,14,19)(H2,15,20)
InChIKeyKBGWGGXLMRVYNK-UHFFFAOYSA-N
MW286.38 g/mol
LogP-1.51
Rot. Bonds6

About 2-[4-(1-amino-1-oxobutan-2-yl)-6-hydroxy-1,4-diazepan-1-yl]butanamide

2-[4-(1-amino-1-oxobutan-2-yl)-6-hydroxy-1,4-diazepan-1-yl]butanamide (PubChem CID 136518009) has the molecular formula C13H26N4O3 and a molecular weight of 286.38 g/mol. Its IUPAC name is 2-[4-(1-amino-1-oxobutan-2-yl)-6-hydroxy-1,4-diazepan-1-yl]butanamide.

Molecular Properties

Compound Name2-[4-(1-amino-1-oxobutan-2-yl)-6-hydroxy-1,4-diazepan-1-yl]butanamide
PubChem CID136518009
Molecular FormulaC13H26N4O3
Molecular Weight286.38 g/mol
Exact Mass286.20
IUPAC Name2-[4-(1-amino-1-oxobutan-2-yl)-6-hydroxy-1,4-diazepan-1-yl]butanamide
SMILESCCC(C(N)=O)N1CCN(C(CC)C(N)=O)CC(O)C1
InChIInChI=1S/C13H26N4O3/c1-3-10(12(14)19)16-5-6-17(8-9(18)7-16)11(4-2)13(15)20/h9-11,18H,3-8H2,1-2H3,(H2,14,19)(H2,15,20)
InChIKeyKBGWGGXLMRVYNK-UHFFFAOYSA-N
XLogP-1.51
TPSA112.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 5-1.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,4-dihydroxypyrrolidin-1-yl)butanamide
CID 106672064
2-[(3R)-3-methylpiperazin-1-yl]butanamide
CID 104975725
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)butanamide
CID 78945283
2-[4-(1-amino-1-sulfanylidenebutan-2-yl)piperazin-1-yl]butanamide
CID 63341754
(2R)-2-(4-tert-butylpiperazin-1-yl)butanamide
CID 157427714
2-[3-(methylaminomethyl)pyrrolidin-1-yl]butanamide
CID 63267432
2-[3-(methylaminomethyl)piperidin-1-yl]butanamide
CID 62899302
2-[3-methyl-4-(propylamino)piperidin-1-yl]butanamide
CID 114499454
2-(8-azaspiro[4.5]decan-8-yl)butanamide
CID 63159383
2-[4-(1-amino-1-oxobutan-2-yl)-1,4-diazepan-1-yl]acetic acid
CID 62901402
2-(3-methyl-4-oxoimidazolidin-1-yl)butanamide
CID 130634425
2-(3-azaspiro[5.5]undecan-3-yl)butanamide
CID 62921660

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-amino-1-oxobutan-2-yl)-6-hydroxy-1,4-diazepan-1-yl]butanamide?
The IUPAC name of 2-[4-(1-amino-1-oxobutan-2-yl)-6-hydroxy-1,4-diazepan-1-yl]butanamide (CID 136518009) is 2-[4-(1-amino-1-oxobutan-2-yl)-6-hydroxy-1,4-diazepan-1-yl]butanamide.
What is the SMILES notation for 2-[4-(1-amino-1-oxobutan-2-yl)-6-hydroxy-1,4-diazepan-1-yl]butanamide?
The canonical SMILES for 2-[4-(1-amino-1-oxobutan-2-yl)-6-hydroxy-1,4-diazepan-1-yl]butanamide is CCC(C(N)=O)N1CCN(C(CC)C(N)=O)CC(O)C1.
What is the InChIKey of 2-[4-(1-amino-1-oxobutan-2-yl)-6-hydroxy-1,4-diazepan-1-yl]butanamide?
The InChIKey is KBGWGGXLMRVYNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O3/c1-3-10(12(14)19)16-5-6-17(8-9(18)7-16)11(4-2)13(15)20/h9-11,18H,3-8H2,1-2H3,(H2,14,19)(H2,15,20).
What are the key properties of 2-[4-(1-amino-1-oxobutan-2-yl)-6-hydroxy-1,4-diazepan-1-yl]butanamide?
2-[4-(1-amino-1-oxobutan-2-yl)-6-hydroxy-1,4-diazepan-1-yl]butanamide has a molecular weight of 286.38 g/mol, XLogP of -1.51, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-amino-1-oxobutan-2-yl)-6-hydroxy-1,4-diazepan-1-yl]butanamide is sourced from PubChem (CID 136518009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).