2-(but-3-enoxycarbonylamino)acetic acid;2-methylpropane

C11H21NO4 — CID 143807021

IUPAC2-(but-3-enoxycarbonylamino)acetic acid;2-methylpropane
SMILESC=CCCOC(=O)NCC(=O)O.CC(C)C
InChIInChI=1S/C7H11NO4.C4H10/c1-2-3-4-12-7(11)8-5-6(9)10;1-4(2)3/h2H,1,3-5H2,(H,8,11)(H,9,10);4H,1-3H3
InChIKeyHOZLBKLCDZQHPC-UHFFFAOYSA-N
MW231.29 g/mol
LogP2.04
Rot. Bonds5

About 2-(but-3-enoxycarbonylamino)acetic acid;2-methylpropane

2-(but-3-enoxycarbonylamino)acetic acid;2-methylpropane (PubChem CID 143807021) has the molecular formula C11H21NO4 and a molecular weight of 231.29 g/mol. Its IUPAC name is 2-(but-3-enoxycarbonylamino)acetic acid;2-methylpropane.

Molecular Properties

Compound Name2-(but-3-enoxycarbonylamino)acetic acid;2-methylpropane
PubChem CID143807021
Molecular FormulaC11H21NO4
Molecular Weight231.29 g/mol
Exact Mass231.15
IUPAC Name2-(but-3-enoxycarbonylamino)acetic acid;2-methylpropane
SMILESC=CCCOC(=O)NCC(=O)O.CC(C)C
InChIInChI=1S/C7H11NO4.C4H10/c1-2-3-4-12-7(11)8-5-6(9)10;1-4(2)3/h2H,1,3-5H2,(H,8,11)(H,9,10);4H,1-3H3
InChIKeyHOZLBKLCDZQHPC-UHFFFAOYSA-N
XLogP2.04
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

bis(but-3-enyl) 2-methylpropanedioate
CID 90481204
3-but-3-enoxy-2-methyl-3-oxopropanoic acid
CID 130296980
3-but-3-enoxy-3-oxopropanoic acid
CID 87604674
ethyl N-but-3-enoxycarbonylcarbamate
CID 15307637
but-3-enyl N-methylcarbamate;hept-1-ene
CID 157391424
2-(ethoxycarbonylamino)acetic acid;propane
CID 145279324
2-but-3-enoxypropanoic acid
CID 43128770
methyl (2S)-2-[[2-(prop-2-enoxycarbonylamino)acetyl]amino]propanoate
CID 164673637
prop-2-enyl N-(2-aminopropyl)carbamate
CID 11321103
2-[[2-(2-but-3-enoxyethylcarbamoylamino)acetyl]amino]acetic acid
CID 106404893
(2R)-2-amino-N-(2-but-3-enoxyethyl)propanamide
CID 106398122
3-methyl-2-[(prop-2-enoxycarbonylamino)methyl]butanoic acid
CID 65220019

Frequently Asked Questions

What is the IUPAC name of 2-(but-3-enoxycarbonylamino)acetic acid;2-methylpropane?
The IUPAC name of 2-(but-3-enoxycarbonylamino)acetic acid;2-methylpropane (CID 143807021) is 2-(but-3-enoxycarbonylamino)acetic acid;2-methylpropane.
What is the SMILES notation for 2-(but-3-enoxycarbonylamino)acetic acid;2-methylpropane?
The canonical SMILES for 2-(but-3-enoxycarbonylamino)acetic acid;2-methylpropane is C=CCCOC(=O)NCC(=O)O.CC(C)C.
What is the InChIKey of 2-(but-3-enoxycarbonylamino)acetic acid;2-methylpropane?
The InChIKey is HOZLBKLCDZQHPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO4.C4H10/c1-2-3-4-12-7(11)8-5-6(9)10;1-4(2)3/h2H,1,3-5H2,(H,8,11)(H,9,10);4H,1-3H3.
What are the key properties of 2-(but-3-enoxycarbonylamino)acetic acid;2-methylpropane?
2-(but-3-enoxycarbonylamino)acetic acid;2-methylpropane has a molecular weight of 231.29 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(but-3-enoxycarbonylamino)acetic acid;2-methylpropane is sourced from PubChem (CID 143807021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).