2-[(3-aminooxolane-3-carbonyl)-prop-2-enylamino]acetic acid

C10H16N2O4 — CID 79262373

IUPAC2-[(3-aminooxolane-3-carbonyl)-prop-2-enylamino]acetic acid
SMILESC=CCN(CC(=O)O)C(=O)C1(N)CCOC1
InChIInChI=1S/C10H16N2O4/c1-2-4-12(6-8(13)14)9(15)10(11)3-5-16-7-10/h2H,1,3-7,11H2,(H,13,14)
InChIKeyROKHVVNLJMOFNE-UHFFFAOYSA-N
MW228.25 g/mol
LogP-0.80
Rot. Bonds5

About 2-[(3-aminooxolane-3-carbonyl)-prop-2-enylamino]acetic acid

2-[(3-aminooxolane-3-carbonyl)-prop-2-enylamino]acetic acid (PubChem CID 79262373) has the molecular formula C10H16N2O4 and a molecular weight of 228.25 g/mol. Its IUPAC name is 2-[(3-aminooxolane-3-carbonyl)-prop-2-enylamino]acetic acid.

Molecular Properties

Compound Name2-[(3-aminooxolane-3-carbonyl)-prop-2-enylamino]acetic acid
PubChem CID79262373
Molecular FormulaC10H16N2O4
Molecular Weight228.25 g/mol
Exact Mass228.11
IUPAC Name2-[(3-aminooxolane-3-carbonyl)-prop-2-enylamino]acetic acid
SMILESC=CCN(CC(=O)O)C(=O)C1(N)CCOC1
InChIInChI=1S/C10H16N2O4/c1-2-4-12(6-8(13)14)9(15)10(11)3-5-16-7-10/h2H,1,3-7,11H2,(H,13,14)
InChIKeyROKHVVNLJMOFNE-UHFFFAOYSA-N
XLogP-0.80
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 5-0.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-amino-N,N-bis(prop-2-enyl)cyclopropane-1-carboxamide
CID 65464830
2-[(7-amino-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carbonyl)-prop-2-enylamino]acetic acid
CID 114946331
2-[[2-(1-aminocyclohexyl)acetyl]-prop-2-enylamino]acetic acid
CID 79263851
3-amino-N-ethyl-N-(2-methylpropyl)oxolane-3-carboxamide
CID 64892702
2-[morpholine-4-carbonyl(prop-2-enyl)amino]acetic acid
CID 79262594
3-amino-N,N-bis(2-ethoxyethyl)oxolane-3-carboxamide
CID 82966183
3-amino-N-propyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide
CID 64893368
2-[prop-2-enoyl(prop-2-enyl)amino]acetic acid
CID 79256407
3-amino-N-(2-methoxyethyl)-N-(2-methylpropyl)oxolane-3-carboxamide
CID 64891152
4-amino-N,N-diethyloxane-4-carboxamide
CID 115293439
2-[(4-aminooxane-4-carbonyl)-propan-2-ylamino]acetic acid
CID 113280683
(3S)-3-aminooxolane-3-carboxamide
CID 96640573

Frequently Asked Questions

What is the IUPAC name of 2-[(3-aminooxolane-3-carbonyl)-prop-2-enylamino]acetic acid?
The IUPAC name of 2-[(3-aminooxolane-3-carbonyl)-prop-2-enylamino]acetic acid (CID 79262373) is 2-[(3-aminooxolane-3-carbonyl)-prop-2-enylamino]acetic acid.
What is the SMILES notation for 2-[(3-aminooxolane-3-carbonyl)-prop-2-enylamino]acetic acid?
The canonical SMILES for 2-[(3-aminooxolane-3-carbonyl)-prop-2-enylamino]acetic acid is C=CCN(CC(=O)O)C(=O)C1(N)CCOC1.
What is the InChIKey of 2-[(3-aminooxolane-3-carbonyl)-prop-2-enylamino]acetic acid?
The InChIKey is ROKHVVNLJMOFNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O4/c1-2-4-12(6-8(13)14)9(15)10(11)3-5-16-7-10/h2H,1,3-7,11H2,(H,13,14).
What are the key properties of 2-[(3-aminooxolane-3-carbonyl)-prop-2-enylamino]acetic acid?
2-[(3-aminooxolane-3-carbonyl)-prop-2-enylamino]acetic acid has a molecular weight of 228.25 g/mol, XLogP of -0.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-aminooxolane-3-carbonyl)-prop-2-enylamino]acetic acid is sourced from PubChem (CID 79262373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).