methyl 2-[(3-amino-2-hydroxypropoxy)amino]prop-2-enoate

C7H14N2O4 — CID 57138339

IUPACmethyl 2-[(3-amino-2-hydroxypropoxy)amino]prop-2-enoate
SMILESC=C(NOCC(O)CN)C(=O)OC
InChIInChI=1S/C7H14N2O4/c1-5(7(11)12-2)9-13-4-6(10)3-8/h6,9-10H,1,3-4,8H2,2H3
InChIKeyQYNMEFNVDKSINC-UHFFFAOYSA-N
MW190.20 g/mol
LogP-1.49
Rot. Bonds6

About methyl 2-[(3-amino-2-hydroxypropoxy)amino]prop-2-enoate

methyl 2-[(3-amino-2-hydroxypropoxy)amino]prop-2-enoate (PubChem CID 57138339) has the molecular formula C7H14N2O4 and a molecular weight of 190.20 g/mol. Its IUPAC name is methyl 2-[(3-amino-2-hydroxypropoxy)amino]prop-2-enoate.

Molecular Properties

Compound Namemethyl 2-[(3-amino-2-hydroxypropoxy)amino]prop-2-enoate
PubChem CID57138339
Molecular FormulaC7H14N2O4
Molecular Weight190.20 g/mol
Exact Mass190.10
IUPAC Namemethyl 2-[(3-amino-2-hydroxypropoxy)amino]prop-2-enoate
SMILESC=C(NOCC(O)CN)C(=O)OC
InChIInChI=1S/C7H14N2O4/c1-5(7(11)12-2)9-13-4-6(10)3-8/h6,9-10H,1,3-4,8H2,2H3
InChIKeyQYNMEFNVDKSINC-UHFFFAOYSA-N
XLogP-1.49
TPSA93.81 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 5-1.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3-amino-2-hydroxypropoxy)amino]prop-2-enoate?
The IUPAC name of methyl 2-[(3-amino-2-hydroxypropoxy)amino]prop-2-enoate (CID 57138339) is methyl 2-[(3-amino-2-hydroxypropoxy)amino]prop-2-enoate.
What is the SMILES notation for methyl 2-[(3-amino-2-hydroxypropoxy)amino]prop-2-enoate?
The canonical SMILES for methyl 2-[(3-amino-2-hydroxypropoxy)amino]prop-2-enoate is C=C(NOCC(O)CN)C(=O)OC.
What is the InChIKey of methyl 2-[(3-amino-2-hydroxypropoxy)amino]prop-2-enoate?
The InChIKey is QYNMEFNVDKSINC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O4/c1-5(7(11)12-2)9-13-4-6(10)3-8/h6,9-10H,1,3-4,8H2,2H3.
What are the key properties of methyl 2-[(3-amino-2-hydroxypropoxy)amino]prop-2-enoate?
methyl 2-[(3-amino-2-hydroxypropoxy)amino]prop-2-enoate has a molecular weight of 190.20 g/mol, XLogP of -1.49, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3-amino-2-hydroxypropoxy)amino]prop-2-enoate is sourced from PubChem (CID 57138339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).