2-methylprop-2-enyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

C12H21NO4 — CID 134855941

IUPAC2-methylprop-2-enyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
SMILESC=C(C)COC(=O)[C@H](C)NC(=O)OC(C)(C)C
InChIInChI=1S/C12H21NO4/c1-8(2)7-16-10(14)9(3)13-11(15)17-12(4,5)6/h9H,1,7H2,2-6H3,(H,13,15)/t9-/m0/s1
InChIKeyHLADZATUKGWFCB-VIFPVBQESA-N
MW243.30 g/mol
LogP2.02
Rot. Bonds4

About 2-methylprop-2-enyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

2-methylprop-2-enyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate (PubChem CID 134855941) has the molecular formula C12H21NO4 and a molecular weight of 243.30 g/mol. Its IUPAC name is 2-methylprop-2-enyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate.

Molecular Properties

Compound Name2-methylprop-2-enyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
PubChem CID134855941
Molecular FormulaC12H21NO4
Molecular Weight243.30 g/mol
Exact Mass243.15
IUPAC Name2-methylprop-2-enyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
SMILESC=C(C)COC(=O)[C@H](C)NC(=O)OC(C)(C)C
InChIInChI=1S/C12H21NO4/c1-8(2)7-16-10(14)9(3)13-11(15)17-12(4,5)6/h9H,1,7H2,2-6H3,(H,13,15)/t9-/m0/s1
InChIKeyHLADZATUKGWFCB-VIFPVBQESA-N
XLogP2.02
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-((tert-Butoxycarbonyl)amino)ethyl methacrylate
CID 11172242
prop-2-en-1-yl (2R)-2-(((tert-butoxy)carbonyl)amino)-3-sulfanylpropanoate
CID 90160712
N-t-Boc-L-serine Allyl Ester
CID 11356996
(S)-3-Allyloxy-2-tert-butoxycarbonylamino-propionic acid methyl ester
CID 57846413
(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(2-methylprop-2-enoyloxy)propanoic acid
CID 139777494
2-(Methacryloyloxy) ethyl 3-(methacryloyloxy)propylcarbamate
CID 155928177
Ethyl (tert-butoxycarbonyl)alaninate
CID 357713
l-Alanine, N-allyloxycarbonyl-, ethyl ester
CID 6422685
Methyl (2S)-2-(prop-2-enoxycarbonylamino)propanoate
CID 10081156
2-[(Ethoxycarbonyl)amino]ethyl 2-methylprop-2-enoate
CID 15965674
Methyl 2-(prop-2-enoxycarbonylamino)propanoate
CID 22154835
2-methylprop-2-enyl (2S)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 24766111

Frequently Asked Questions

What is the IUPAC name of 2-methylprop-2-enyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate?
The IUPAC name of 2-methylprop-2-enyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate (CID 134855941) is 2-methylprop-2-enyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate.
What is the SMILES notation for 2-methylprop-2-enyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate?
The canonical SMILES for 2-methylprop-2-enyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate is C=C(C)COC(=O)[C@H](C)NC(=O)OC(C)(C)C.
What is the InChIKey of 2-methylprop-2-enyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate?
The InChIKey is HLADZATUKGWFCB-VIFPVBQESA-N. The full InChI is InChI=1S/C12H21NO4/c1-8(2)7-16-10(14)9(3)13-11(15)17-12(4,5)6/h9H,1,7H2,2-6H3,(H,13,15)/t9-/m0/s1.
What are the key properties of 2-methylprop-2-enyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate?
2-methylprop-2-enyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate has a molecular weight of 243.30 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylprop-2-enyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate is sourced from PubChem (CID 134855941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).