diaminomethyl 2-methylprop-2-enoate

C5H10N2O2 — CID 18522879

IUPACdiaminomethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(N)N
InChIInChI=1S/C5H10N2O2/c1-3(2)4(8)9-5(6)7/h5H,1,6-7H2,2H3
InChIKeyNIYJNIFGDHAKLZ-UHFFFAOYSA-N
MW130.15 g/mol
LogP-0.69
Rot. Bonds2

About diaminomethyl 2-methylprop-2-enoate

diaminomethyl 2-methylprop-2-enoate (PubChem CID 18522879) has the molecular formula C5H10N2O2 and a molecular weight of 130.15 g/mol. Its IUPAC name is diaminomethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Namediaminomethyl 2-methylprop-2-enoate
PubChem CID18522879
Molecular FormulaC5H10N2O2
Molecular Weight130.15 g/mol
Exact Mass130.07
IUPAC Namediaminomethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(N)N
InChIInChI=1S/C5H10N2O2/c1-3(2)4(8)9-5(6)7/h5H,1,6-7H2,2H3
InChIKeyNIYJNIFGDHAKLZ-UHFFFAOYSA-N
XLogP-0.69
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.15
LogP ≤ 5-0.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

propan-2-yl 2-methylprop-2-enoate
CID 146421311
1-aminoethyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid
CID 174390329
[(2R,3R)-3-(2-methylprop-2-enoyloxy)butan-2-yl] 2-methylprop-2-enoate
CID 91001649
1-aminoprop-2-enyl 2-methylprop-2-enoate;hydrochloride
CID 87215284
2,2-bis(2-methylprop-2-enoyloxy)acetic acid
CID 56621773
benzene;propan-2-yl 2-methylprop-2-enoate
CID 174524984
dimethoxymethyl 2-methylprop-2-enoate
CID 23110377
1,3-diaminopentyl 2-methylprop-2-enoate
CID 174899731
[(2S)-2-hydroxy-2-(2-methylprop-2-enoyloxy)ethyl] 2-methylprop-2-enoate
CID 88713969
1-acetyloxyethyl 2-methylprop-2-enoate
CID 18517368
(1-hydroxy-2-methylpropyl) 2-methylprop-2-enoate
CID 54304297
[(2S,4S)-4-(2-methylprop-2-enoyloxy)pentan-2-yl] 2-methylprop-2-enoate
CID 101184166

Frequently Asked Questions

What is the IUPAC name of diaminomethyl 2-methylprop-2-enoate?
The IUPAC name of diaminomethyl 2-methylprop-2-enoate (CID 18522879) is diaminomethyl 2-methylprop-2-enoate.
What is the SMILES notation for diaminomethyl 2-methylprop-2-enoate?
The canonical SMILES for diaminomethyl 2-methylprop-2-enoate is C=C(C)C(=O)OC(N)N.
What is the InChIKey of diaminomethyl 2-methylprop-2-enoate?
The InChIKey is NIYJNIFGDHAKLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O2/c1-3(2)4(8)9-5(6)7/h5H,1,6-7H2,2H3.
What are the key properties of diaminomethyl 2-methylprop-2-enoate?
diaminomethyl 2-methylprop-2-enoate has a molecular weight of 130.15 g/mol, XLogP of -0.69, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diaminomethyl 2-methylprop-2-enoate is sourced from PubChem (CID 18522879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).