methyl 2-(carbamoylamino)-4-methylpent-4-enoate

C8H14N2O3 — CID 86744408

IUPACmethyl 2-(carbamoylamino)-4-methylpent-4-enoate
SMILESC=C(C)CC(NC(N)=O)C(=O)OC
InChIInChI=1S/C8H14N2O3/c1-5(2)4-6(7(11)13-3)10-8(9)12/h6H,1,4H2,2-3H3,(H3,9,10,12)
InChIKeyZSGBPYGXNBDLIH-UHFFFAOYSA-N
MW186.21 g/mol
LogP0.16
Rot. Bonds4

About methyl 2-(carbamoylamino)-4-methylpent-4-enoate

methyl 2-(carbamoylamino)-4-methylpent-4-enoate (PubChem CID 86744408) has the molecular formula C8H14N2O3 and a molecular weight of 186.21 g/mol. Its IUPAC name is methyl 2-(carbamoylamino)-4-methylpent-4-enoate.

Molecular Properties

Compound Namemethyl 2-(carbamoylamino)-4-methylpent-4-enoate
PubChem CID86744408
Molecular FormulaC8H14N2O3
Molecular Weight186.21 g/mol
Exact Mass186.10
IUPAC Namemethyl 2-(carbamoylamino)-4-methylpent-4-enoate
SMILESC=C(C)CC(NC(N)=O)C(=O)OC
InChIInChI=1S/C8H14N2O3/c1-5(2)4-6(7(11)13-3)10-8(9)12/h6H,1,4H2,2-3H3,(H3,9,10,12)
InChIKeyZSGBPYGXNBDLIH-UHFFFAOYSA-N
XLogP0.16
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-(carbamoylamino)-3-hydroxypropanoate
CID 43311462
methyl 2-benzamido-4-methylpent-4-enoate
CID 14493675
ethyl (2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-enoate
CID 140795894
(3S)-3,5-dimethylhex-5-en-2-one
CID 45085211
methyl 4-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-enoate
CID 59676163
dimethyl (2R,5R)-2,5-diacetamidohexanedioate
CID 88873826
dimethyl 2,5-diacetamidohexanedioate
CID 88873788
methyl (2R)-2-acetamido-3-[(2-acetamido-3-methoxy-3-oxopropyl)disulfanyl]propanoate
CID 54565842
methyl 2-[(3-amino-2-methylpropanoyl)amino]propanoate
CID 62669479
prop-2-enyl N-[1-(methoxyamino)-4-methyl-1-oxopent-4-en-2-yl]carbamate
CID 11776504
methyl (2S)-2-acetamidobutanoate
CID 11084154
methyl (2R)-4-amino-2-(methylamino)-4-oxobutanoate
CID 174668747

Frequently Asked Questions

What is the IUPAC name of methyl 2-(carbamoylamino)-4-methylpent-4-enoate?
The IUPAC name of methyl 2-(carbamoylamino)-4-methylpent-4-enoate (CID 86744408) is methyl 2-(carbamoylamino)-4-methylpent-4-enoate.
What is the SMILES notation for methyl 2-(carbamoylamino)-4-methylpent-4-enoate?
The canonical SMILES for methyl 2-(carbamoylamino)-4-methylpent-4-enoate is C=C(C)CC(NC(N)=O)C(=O)OC.
What is the InChIKey of methyl 2-(carbamoylamino)-4-methylpent-4-enoate?
The InChIKey is ZSGBPYGXNBDLIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O3/c1-5(2)4-6(7(11)13-3)10-8(9)12/h6H,1,4H2,2-3H3,(H3,9,10,12).
What are the key properties of methyl 2-(carbamoylamino)-4-methylpent-4-enoate?
methyl 2-(carbamoylamino)-4-methylpent-4-enoate has a molecular weight of 186.21 g/mol, XLogP of 0.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(carbamoylamino)-4-methylpent-4-enoate is sourced from PubChem (CID 86744408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).