4-amino-N-(2-aminoethyl)oxane-4-carboxamide

C8H17N3O2 — CID 115294627

IUPAC4-amino-N-(2-aminoethyl)oxane-4-carboxamide
SMILESNCCNC(=O)C1(N)CCOCC1
InChIInChI=1S/C8H17N3O2/c9-3-4-11-7(12)8(10)1-5-13-6-2-8/h1-6,9-10H2,(H,11,12)
InChIKeyXJTUIYDTXQJOQH-UHFFFAOYSA-N
MW187.24 g/mol
LogP-1.43
Rot. Bonds3

About 4-amino-N-(2-aminoethyl)oxane-4-carboxamide

4-amino-N-(2-aminoethyl)oxane-4-carboxamide (PubChem CID 115294627) has the molecular formula C8H17N3O2 and a molecular weight of 187.24 g/mol. Its IUPAC name is 4-amino-N-(2-aminoethyl)oxane-4-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2-aminoethyl)oxane-4-carboxamide
PubChem CID115294627
Molecular FormulaC8H17N3O2
Molecular Weight187.24 g/mol
Exact Mass187.13
IUPAC Name4-amino-N-(2-aminoethyl)oxane-4-carboxamide
SMILESNCCNC(=O)C1(N)CCOCC1
InChIInChI=1S/C8H17N3O2/c9-3-4-11-7(12)8(10)1-5-13-6-2-8/h1-6,9-10H2,(H,11,12)
InChIKeyXJTUIYDTXQJOQH-UHFFFAOYSA-N
XLogP-1.43
TPSA90.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 5-1.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-amino-N-(2-aminoethyl)cyclopropane-1-carboxamide
CID 65466649
4-amino-N-(2-hydroxyethyl)oxane-4-carboxamide
CID 115293654
4-amino-N-[2-(carbamoylamino)ethyl]oxane-4-carboxamide
CID 115556917
4-amino-N-butyloxane-4-carboxamide
CID 115293500
4-amino-N-but-3-ynyloxane-4-carboxamide
CID 115294969
4-amino-N-prop-2-enyloxane-4-carboxamide
CID 115293592
7-[(4-aminooxane-4-carbonyl)amino]heptanoic acid
CID 115294507
5-[(4-aminooxane-4-carbonyl)amino]-2-methylpentanoic acid
CID 112547775
4-[(4-aminooxane-4-carbonyl)amino]-2,2-dimethylbutanoic acid
CID 114285703
4-amino-N-hex-5-ynyloxane-4-carboxamide
CID 103950464
4-amino-N-[2-[2-methoxyethyl(methyl)amino]ethyl]oxane-4-carboxamide
CID 113280761
4-amino-N-[3-oxo-3-(propan-2-ylamino)propyl]oxane-4-carboxamide
CID 112704033

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-aminoethyl)oxane-4-carboxamide?
The IUPAC name of 4-amino-N-(2-aminoethyl)oxane-4-carboxamide (CID 115294627) is 4-amino-N-(2-aminoethyl)oxane-4-carboxamide.
What is the SMILES notation for 4-amino-N-(2-aminoethyl)oxane-4-carboxamide?
The canonical SMILES for 4-amino-N-(2-aminoethyl)oxane-4-carboxamide is NCCNC(=O)C1(N)CCOCC1.
What is the InChIKey of 4-amino-N-(2-aminoethyl)oxane-4-carboxamide?
The InChIKey is XJTUIYDTXQJOQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O2/c9-3-4-11-7(12)8(10)1-5-13-6-2-8/h1-6,9-10H2,(H,11,12).
What are the key properties of 4-amino-N-(2-aminoethyl)oxane-4-carboxamide?
4-amino-N-(2-aminoethyl)oxane-4-carboxamide has a molecular weight of 187.24 g/mol, XLogP of -1.43, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-aminoethyl)oxane-4-carboxamide is sourced from PubChem (CID 115294627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).