4-amino-N-(1-cyanopropan-2-yl)oxane-4-carboxamide

C10H17N3O2 — CID 115294787

IUPAC4-amino-N-(1-cyanopropan-2-yl)oxane-4-carboxamide
SMILESCC(CC#N)NC(=O)C1(N)CCOCC1
InChIInChI=1S/C10H17N3O2/c1-8(2-5-11)13-9(14)10(12)3-6-15-7-4-10/h8H,2-4,6-7,12H2,1H3,(H,13,14)
InChIKeyMGIGDQPAQIZIMM-UHFFFAOYSA-N
MW211.26 g/mol
LogP-0.09
Rot. Bonds3

About 4-amino-N-(1-cyanopropan-2-yl)oxane-4-carboxamide

4-amino-N-(1-cyanopropan-2-yl)oxane-4-carboxamide (PubChem CID 115294787) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 4-amino-N-(1-cyanopropan-2-yl)oxane-4-carboxamide.

Molecular Properties

Compound Name4-amino-N-(1-cyanopropan-2-yl)oxane-4-carboxamide
PubChem CID115294787
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name4-amino-N-(1-cyanopropan-2-yl)oxane-4-carboxamide
SMILESCC(CC#N)NC(=O)C1(N)CCOCC1
InChIInChI=1S/C10H17N3O2/c1-8(2-5-11)13-9(14)10(12)3-6-15-7-4-10/h8H,2-4,6-7,12H2,1H3,(H,13,14)
InChIKeyMGIGDQPAQIZIMM-UHFFFAOYSA-N
XLogP-0.09
TPSA88.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-amino-N-(1-cyanopropan-2-yl)oxane-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-amino-N-[(2S)-1-hydroxypropan-2-yl]oxane-4-carboxamide
CID 107219174
4-amino-N-(4-methylhexan-2-yl)oxane-4-carboxamide
CID 113280840
4-amino-N-(1-ethylsulfanylpropan-2-yl)oxane-4-carboxamide
CID 115763417
3-[(3-aminooxolane-3-carbonyl)amino]butanoic acid
CID 64894006
4-amino-N-(1-cyclopropylethyl)oxane-4-carboxamide
CID 115293707
4-amino-N-hexan-3-yloxane-4-carboxamide
CID 115294789
4-amino-N-(3-methyl-2-propan-2-ylbutyl)oxane-4-carboxamide
CID 102905819
N-(4-amino-4-oxobutan-2-yl)-4-cyanooxane-4-carboxamide
CID 115664806
4-amino-N-[3-oxo-3-(propan-2-ylamino)propyl]oxane-4-carboxamide
CID 112704033
4-amino-N-(dicyclopropylmethyl)oxane-4-carboxamide
CID 115294592
N-(1-cyanopropan-2-yl)adamantane-1-carboxamide
CID 55032517
4-amino-N-[(1R)-1-phenylethyl]oxane-4-carboxamide
CID 113280798

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(1-cyanopropan-2-yl)oxane-4-carboxamide?
The IUPAC name of 4-amino-N-(1-cyanopropan-2-yl)oxane-4-carboxamide (CID 115294787) is 4-amino-N-(1-cyanopropan-2-yl)oxane-4-carboxamide.
What is the SMILES notation for 4-amino-N-(1-cyanopropan-2-yl)oxane-4-carboxamide?
The canonical SMILES for 4-amino-N-(1-cyanopropan-2-yl)oxane-4-carboxamide is CC(CC#N)NC(=O)C1(N)CCOCC1.
What is the InChIKey of 4-amino-N-(1-cyanopropan-2-yl)oxane-4-carboxamide?
The InChIKey is MGIGDQPAQIZIMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-8(2-5-11)13-9(14)10(12)3-6-15-7-4-10/h8H,2-4,6-7,12H2,1H3,(H,13,14).
What are the key properties of 4-amino-N-(1-cyanopropan-2-yl)oxane-4-carboxamide?
4-amino-N-(1-cyanopropan-2-yl)oxane-4-carboxamide has a molecular weight of 211.26 g/mol, XLogP of -0.09, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(1-cyanopropan-2-yl)oxane-4-carboxamide is sourced from PubChem (CID 115294787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).