(propan-2-ylamino) 2-methylprop-2-enoate

C7H13NO2 — CID 140503807

IUPAC(propan-2-ylamino) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)ONC(C)C
InChIInChI=1S/C7H13NO2/c1-5(2)7(9)10-8-6(3)4/h6,8H,1H2,2-4H3
InChIKeyZLORSAAHFIXCQE-UHFFFAOYSA-N
MW143.19 g/mol
LogP1.02
Rot. Bonds3

About (propan-2-ylamino) 2-methylprop-2-enoate

(propan-2-ylamino) 2-methylprop-2-enoate (PubChem CID 140503807) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is (propan-2-ylamino) 2-methylprop-2-enoate.

Molecular Properties

Compound Name(propan-2-ylamino) 2-methylprop-2-enoate
PubChem CID140503807
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name(propan-2-ylamino) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)ONC(C)C
InChIInChI=1S/C7H13NO2/c1-5(2)7(9)10-8-6(3)4/h6,8H,1H2,2-4H3
InChIKeyZLORSAAHFIXCQE-UHFFFAOYSA-N
XLogP1.02
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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Related Compounds

bis(propan-2-ylamino) oxalate
CID 57282592
propan-2-yl 2-methylprop-2-enoate
CID 146421311
[(2R,3R)-3-(2-methylprop-2-enoyloxy)butan-2-yl] 2-methylprop-2-enoate
CID 91001649
methyl 2-methylprop-2-enoate;propan-2-one
CID 18939878
methane;bis(methyl 2-methylprop-2-enoate)
CID 159008219
1-(ethenylamino)ethyl 2-methylprop-2-enoate
CID 87899404
methyl 2-methylprop-2-enoate;nickel
CID 88732958
methyl 2-methylprop-2-enoate;polane
CID 173074189
methyl 2-methylprop-2-enoate;phosphane
CID 158704529
methyl prop-2-enoate;propan-2-yl 2-methylprop-2-enoate
CID 174883570
(2S)-6-amino-2-(2-methylprop-2-enoyloxyamino)hexanoic acid
CID 87574809
2-methylprop-1-ene;2-methylprop-2-enoyl 2-methylprop-2-enoate
CID 170331800

Frequently Asked Questions

What is the IUPAC name of (propan-2-ylamino) 2-methylprop-2-enoate?
The IUPAC name of (propan-2-ylamino) 2-methylprop-2-enoate (CID 140503807) is (propan-2-ylamino) 2-methylprop-2-enoate.
What is the SMILES notation for (propan-2-ylamino) 2-methylprop-2-enoate?
The canonical SMILES for (propan-2-ylamino) 2-methylprop-2-enoate is C=C(C)C(=O)ONC(C)C.
What is the InChIKey of (propan-2-ylamino) 2-methylprop-2-enoate?
The InChIKey is ZLORSAAHFIXCQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2/c1-5(2)7(9)10-8-6(3)4/h6,8H,1H2,2-4H3.
What are the key properties of (propan-2-ylamino) 2-methylprop-2-enoate?
(propan-2-ylamino) 2-methylprop-2-enoate has a molecular weight of 143.19 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (propan-2-ylamino) 2-methylprop-2-enoate is sourced from PubChem (CID 140503807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).