2-amino-3-(1,4-dioxan-2-ylmethylamino)propanamide

C8H17N3O3 — CID 103242220

IUPAC2-amino-3-(1,4-dioxan-2-ylmethylamino)propanamide
SMILESNC(=O)C(N)CNCC1COCCO1
InChIInChI=1S/C8H17N3O3/c9-7(8(10)12)4-11-3-6-5-13-1-2-14-6/h6-7,11H,1-5,9H2,(H2,10,12)
InChIKeySQJAAIHSTOOATQ-UHFFFAOYSA-N
MW203.24 g/mol
LogP-2.20
Rot. Bonds5

About 2-amino-3-(1,4-dioxan-2-ylmethylamino)propanamide

2-amino-3-(1,4-dioxan-2-ylmethylamino)propanamide (PubChem CID 103242220) has the molecular formula C8H17N3O3 and a molecular weight of 203.24 g/mol. Its IUPAC name is 2-amino-3-(1,4-dioxan-2-ylmethylamino)propanamide.

Molecular Properties

Compound Name2-amino-3-(1,4-dioxan-2-ylmethylamino)propanamide
PubChem CID103242220
Molecular FormulaC8H17N3O3
Molecular Weight203.24 g/mol
Exact Mass203.13
IUPAC Name2-amino-3-(1,4-dioxan-2-ylmethylamino)propanamide
SMILESNC(=O)C(N)CNCC1COCCO1
InChIInChI=1S/C8H17N3O3/c9-7(8(10)12)4-11-3-6-5-13-1-2-14-6/h6-7,11H,1-5,9H2,(H2,10,12)
InChIKeySQJAAIHSTOOATQ-UHFFFAOYSA-N
XLogP-2.20
TPSA99.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 5-2.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-3-(oxan-3-ylmethylamino)propanamide
CID 103242267
N-carbamoyl-2-(1,4-dioxan-2-ylmethylamino)acetamide
CID 60976759
(2S)-2-(1,4-dioxan-2-ylmethylamino)-3,3-dimethylbutanamide
CID 167858059
ethyl 2-(1,4-dioxan-2-ylmethylamino)acetate
CID 61025111
3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethylamino)-2-aminopropanamide
CID 103255761
N-(1,4-dioxan-2-ylmethyl)ethanamine
CID 15422769
2-amino-N-(1,4-dioxan-2-ylmethyl)-4-methylsulfonylbutanamide
CID 54907981
N-(1,4-dioxan-2-ylmethyl)hydroxylamine
CID 88551230
N-(1,4-dioxan-2-ylmethyl)-2-hydrazinyl-2-oxoacetamide
CID 61023976
N-(1,4,7,10,13-pentaoxacyclopentadec-2-ylmethyl)ethanamine
CID 12820576
3-(1,4-dioxan-2-ylmethylamino)-N,N-dimethylpropanamide
CID 61023691
N'-(2-amino-2-sulfanylideneethyl)-N-(1,4-dioxan-2-ylmethyl)oxamide
CID 54908307

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(1,4-dioxan-2-ylmethylamino)propanamide?
The IUPAC name of 2-amino-3-(1,4-dioxan-2-ylmethylamino)propanamide (CID 103242220) is 2-amino-3-(1,4-dioxan-2-ylmethylamino)propanamide.
What is the SMILES notation for 2-amino-3-(1,4-dioxan-2-ylmethylamino)propanamide?
The canonical SMILES for 2-amino-3-(1,4-dioxan-2-ylmethylamino)propanamide is NC(=O)C(N)CNCC1COCCO1.
What is the InChIKey of 2-amino-3-(1,4-dioxan-2-ylmethylamino)propanamide?
The InChIKey is SQJAAIHSTOOATQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O3/c9-7(8(10)12)4-11-3-6-5-13-1-2-14-6/h6-7,11H,1-5,9H2,(H2,10,12).
What are the key properties of 2-amino-3-(1,4-dioxan-2-ylmethylamino)propanamide?
2-amino-3-(1,4-dioxan-2-ylmethylamino)propanamide has a molecular weight of 203.24 g/mol, XLogP of -2.20, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(1,4-dioxan-2-ylmethylamino)propanamide is sourced from PubChem (CID 103242220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).