[1-(but-2-en-2-ylamino)-2-(2-methylprop-2-enoyloxy)ethyl]carbamic acid

C11H18N2O4 — CID 175056951

IUPAC[1-(but-2-en-2-ylamino)-2-(2-methylprop-2-enoyloxy)ethyl]carbamic acid
SMILESC=C(C)C(=O)OCC(NC(=O)O)NC(C)=CC
InChIInChI=1S/C11H18N2O4/c1-5-8(4)12-9(13-11(15)16)6-17-10(14)7(2)3/h5,9,12-13H,2,6H2,1,3-4H3,(H,15,16)
InChIKeyZVBYGKNRTLYGSB-UHFFFAOYSA-N
MW242.27 g/mol
LogP1.21
Rot. Bonds6

About [1-(but-2-en-2-ylamino)-2-(2-methylprop-2-enoyloxy)ethyl]carbamic acid

[1-(but-2-en-2-ylamino)-2-(2-methylprop-2-enoyloxy)ethyl]carbamic acid (PubChem CID 175056951) has the molecular formula C11H18N2O4 and a molecular weight of 242.27 g/mol. Its IUPAC name is [1-(but-2-en-2-ylamino)-2-(2-methylprop-2-enoyloxy)ethyl]carbamic acid.

Molecular Properties

Compound Name[1-(but-2-en-2-ylamino)-2-(2-methylprop-2-enoyloxy)ethyl]carbamic acid
PubChem CID175056951
Molecular FormulaC11H18N2O4
Molecular Weight242.27 g/mol
Exact Mass242.13
IUPAC Name[1-(but-2-en-2-ylamino)-2-(2-methylprop-2-enoyloxy)ethyl]carbamic acid
SMILESC=C(C)C(=O)OCC(NC(=O)O)NC(C)=CC
InChIInChI=1S/C11H18N2O4/c1-5-8(4)12-9(13-11(15)16)6-17-10(14)7(2)3/h5,9,12-13H,2,6H2,1,3-4H3,(H,15,16)
InChIKeyZVBYGKNRTLYGSB-UHFFFAOYSA-N
XLogP1.21
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 51.21
H-Bond Donors ≤ 53
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

2-[[(Z)-but-2-en-2-yl]carbamoyloxy]propyl 2-methylprop-2-enoate
CID 142512774
2-hydroxypropyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid
CID 87196210
(2S)-2-amino-3-(2-methylprop-2-enoyloxy)propanoic acid
CID 24812035
2-(2-methylprop-2-enoyloxymethyl)butanedioic acid
CID 19370064
2-hydroxypropyl 2-methylprop-2-enoate;methyl prop-2-enoate
CID 174853602
3-(2-methylprop-2-enoyloxy)-2-phosphanylpropanoic acid
CID 141058700
[3-methyl-2-(2-methylprop-2-enoylamino)butyl] 2-methylprop-2-enoate
CID 101442825
[3-methoxy-2-(methoxymethyl)propyl] 2-methylprop-2-enoate
CID 58701380
2,3-dimethylbutyl 2-methylprop-2-enoate
CID 18361655
ethyl 2-methylprop-2-enoate
CID 130475774
3-(acetamidomethyl)-4-(2-methylprop-2-enoyloxy)butanoic acid
CID 20793488
N,N-dimethylmethanamine;2-hydroxypropyl 2-methylprop-2-enoate;hydrochloride
CID 87121753

Frequently Asked Questions

What is the IUPAC name of [1-(but-2-en-2-ylamino)-2-(2-methylprop-2-enoyloxy)ethyl]carbamic acid?
The IUPAC name of [1-(but-2-en-2-ylamino)-2-(2-methylprop-2-enoyloxy)ethyl]carbamic acid (CID 175056951) is [1-(but-2-en-2-ylamino)-2-(2-methylprop-2-enoyloxy)ethyl]carbamic acid.
What is the SMILES notation for [1-(but-2-en-2-ylamino)-2-(2-methylprop-2-enoyloxy)ethyl]carbamic acid?
The canonical SMILES for [1-(but-2-en-2-ylamino)-2-(2-methylprop-2-enoyloxy)ethyl]carbamic acid is C=C(C)C(=O)OCC(NC(=O)O)NC(C)=CC.
What is the InChIKey of [1-(but-2-en-2-ylamino)-2-(2-methylprop-2-enoyloxy)ethyl]carbamic acid?
The InChIKey is ZVBYGKNRTLYGSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4/c1-5-8(4)12-9(13-11(15)16)6-17-10(14)7(2)3/h5,9,12-13H,2,6H2,1,3-4H3,(H,15,16).
What are the key properties of [1-(but-2-en-2-ylamino)-2-(2-methylprop-2-enoyloxy)ethyl]carbamic acid?
[1-(but-2-en-2-ylamino)-2-(2-methylprop-2-enoyloxy)ethyl]carbamic acid has a molecular weight of 242.27 g/mol, XLogP of 1.21, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(but-2-en-2-ylamino)-2-(2-methylprop-2-enoyloxy)ethyl]carbamic acid is sourced from PubChem (CID 175056951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).