2-[but-3-enyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid

C11H19NO4 — CID 91621069

IUPAC2-[but-3-enyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid
SMILESC=CCCN(CC(=O)O)C(=O)OC(C)(C)C
InChIInChI=1S/C11H19NO4/c1-5-6-7-12(8-9(13)14)10(15)16-11(2,3)4/h5H,1,6-8H2,2-4H3,(H,13,14)
InChIKeyJQSPACYLRLQGAW-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.88
Rot. Bonds5

About 2-[but-3-enyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid

2-[but-3-enyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid (PubChem CID 91621069) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is 2-[but-3-enyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[but-3-enyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid
PubChem CID91621069
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Name2-[but-3-enyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid
SMILESC=CCCN(CC(=O)O)C(=O)OC(C)(C)C
InChIInChI=1S/C11H19NO4/c1-5-6-7-12(8-9(13)14)10(15)16-11(2,3)4/h5H,1,6-8H2,2-4H3,(H,13,14)
InChIKeyJQSPACYLRLQGAW-UHFFFAOYSA-N
XLogP1.88
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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'}

Analyze 2-[but-3-enyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Boc-N-(Allyl)-Glycine
CID 10330883
3-(But-3-en-1-yl(tert-butoxycarbonyl)amino)propanoic acid
CID 164510769
hex-2-en-1-yl N-boc-glycine
CID 129859495
2-[(2-Methylpropan-2-yl)oxycarbonyl-prop-2-enylamino]propanoic acid
CID 14209636
N-[(1,1-dimethylethoxy)carbonyl]-N-(2-propenyl)-D-alanine
CID 14209637
N-Boc-N-methyl-(S)-2-allylglycine
CID 15689339
2-[Tert-butoxycarbonyl(methyl)amino]pent-4-enoic acid
CID 17819246
2-[Cyclohexa-1,4-dien-1-yl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid
CID 20293260
N-Boc-allylglycine methyl ester
CID 22243128
(2S)-2-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-enylamino]propanoic acid
CID 22839156
tert-Butyl but-3-en-1-yl(2-hydroxyethyl)carbamate
CID 71489210
Methyl 2-[(2-methylpropan-2-yl)oxycarbonyl-pent-4-enylamino]acetate
CID 86171455

Frequently Asked Questions

What is the IUPAC name of 2-[but-3-enyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid?
The IUPAC name of 2-[but-3-enyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid (CID 91621069) is 2-[but-3-enyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid.
What is the SMILES notation for 2-[but-3-enyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid?
The canonical SMILES for 2-[but-3-enyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid is C=CCCN(CC(=O)O)C(=O)OC(C)(C)C.
What is the InChIKey of 2-[but-3-enyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid?
The InChIKey is JQSPACYLRLQGAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4/c1-5-6-7-12(8-9(13)14)10(15)16-11(2,3)4/h5H,1,6-8H2,2-4H3,(H,13,14).
What are the key properties of 2-[but-3-enyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid?
2-[but-3-enyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid has a molecular weight of 229.28 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[but-3-enyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid is sourced from PubChem (CID 91621069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).