2-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-enylamino]propanoic acid

C11H19NO4 — CID 14209636

IUPAC2-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-enylamino]propanoic acid
SMILESC=CCN(C(=O)OC(C)(C)C)C(C)C(=O)O
InChIInChI=1S/C11H19NO4/c1-6-7-12(8(2)9(13)14)10(15)16-11(3,4)5/h6,8H,1,7H2,2-5H3,(H,13,14)
InChIKeyGXZNTUZFVYRHSM-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.88
Rot. Bonds4

About 2-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-enylamino]propanoic acid

2-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-enylamino]propanoic acid (PubChem CID 14209636) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is 2-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-enylamino]propanoic acid.

Molecular Properties

Compound Name2-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-enylamino]propanoic acid
PubChem CID14209636
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Name2-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-enylamino]propanoic acid
SMILESC=CCN(C(=O)OC(C)(C)C)C(C)C(=O)O
InChIInChI=1S/C11H19NO4/c1-6-7-12(8(2)9(13)14)10(15)16-11(3,4)5/h6,8H,1,7H2,2-5H3,(H,13,14)
InChIKeyGXZNTUZFVYRHSM-UHFFFAOYSA-N
XLogP1.88
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(((Tert-butoxy)carbonyl)(methyl)amino)propanoic acid
CID 4436857
(2S)-2-(((tert-butoxy)carbonyl)(methyl)amino)propanoic acid
CID 7009590
1-(tert-Butoxycarbonyl)-2,5-dihydro-1H-pyrrole-2-carboxylic acid
CID 3504483
1-[(tert-butoxy)carbonyl]-2-methyl-2,5-dihydro-1H-pyrrole-2-carboxylic acid
CID 10489473
2-{[(Tert-butoxy)carbonyl](ethyl)amino}propanoic acid
CID 20271889
2-{[(Tert-butoxy)carbonyl](propyl)amino}propanoic acid
CID 64145887
1-((Tert-butoxy)carbonyl)-1,2,5,6-tetrahydropyridine-2-carboxylic acid
CID 138991303
(S)-1-(tert-Butoxycarbonyl)-2,5-dihydro-1H-pyrrole-2-carboxylic acid
CID 688391
4-((1,1-Dimethylethoxy)carbonyl)-alpha-ethenyl-1-piperazineacetic acid
CID 16217931
Boc-N-(Allyl)-Glycine
CID 10330883
N-(tert-Butoxycarbonyl)-N-methyl-D-alanine
CID 16211306
(2S)-2-[2,2-difluoropropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]but-3-enoic acid
CID 130415189

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-enylamino]propanoic acid?
The IUPAC name of 2-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-enylamino]propanoic acid (CID 14209636) is 2-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-enylamino]propanoic acid.
What is the SMILES notation for 2-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-enylamino]propanoic acid?
The canonical SMILES for 2-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-enylamino]propanoic acid is C=CCN(C(=O)OC(C)(C)C)C(C)C(=O)O.
What is the InChIKey of 2-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-enylamino]propanoic acid?
The InChIKey is GXZNTUZFVYRHSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4/c1-6-7-12(8(2)9(13)14)10(15)16-11(3,4)5/h6,8H,1,7H2,2-5H3,(H,13,14).
What are the key properties of 2-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-enylamino]propanoic acid?
2-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-enylamino]propanoic acid has a molecular weight of 229.28 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-enylamino]propanoic acid is sourced from PubChem (CID 14209636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).