2-[1-[[(Z)-2-methylbut-2-enoyl]amino]cyclobutyl]acetic acid

C11H17NO3 — CID 115909854

IUPAC2-[1-[[(Z)-2-methylbut-2-enoyl]amino]cyclobutyl]acetic acid
SMILESC/C=C(/C)C(=O)NC1(CC(=O)O)CCC1
InChIInChI=1S/C11H17NO3/c1-3-8(2)10(15)12-11(5-4-6-11)7-9(13)14/h3H,4-7H2,1-2H3,(H,12,15)(H,13,14)/b8-3-
InChIKeySVMGNNLZUPCOMF-BAQGIRSFSA-N
MW211.26 g/mol
LogP1.47
Rot. Bonds4

About 2-[1-[[(Z)-2-methylbut-2-enoyl]amino]cyclobutyl]acetic acid

2-[1-[[(Z)-2-methylbut-2-enoyl]amino]cyclobutyl]acetic acid (PubChem CID 115909854) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is 2-[1-[[(Z)-2-methylbut-2-enoyl]amino]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-[[(Z)-2-methylbut-2-enoyl]amino]cyclobutyl]acetic acid
PubChem CID115909854
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name2-[1-[[(Z)-2-methylbut-2-enoyl]amino]cyclobutyl]acetic acid
SMILESC/C=C(/C)C(=O)NC1(CC(=O)O)CCC1
InChIInChI=1S/C11H17NO3/c1-3-8(2)10(15)12-11(5-4-6-11)7-9(13)14/h3H,4-7H2,1-2H3,(H,12,15)(H,13,14)/b8-3-
InChIKeySVMGNNLZUPCOMF-BAQGIRSFSA-N
XLogP1.47
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-[1-(2-methylpent-2-enoylamino)cyclobutyl]acetic acid
CID 79849242
1-[[(Z)-2-methylbut-2-enoyl]amino]cyclobutane-1-carboxylic acid
CID 115910158
2-[1-(ethylcarbamoylamino)cyclobutyl]acetic acid
CID 79846518
2-[1-(cyclopentanecarbonylamino)cyclobutyl]acetic acid
CID 79849092
2-[1-(hexanoylamino)cyclobutyl]acetic acid
CID 79848224
2-[1-(ethoxycarbonylamino)cyclobutyl]acetic acid
CID 79845201
2-[1-(3-methylbut-2-enylcarbamoylamino)cyclopentyl]acetic acid
CID 106191220
2-[1-(2-methylprop-2-enylcarbamoylamino)cyclobutyl]acetic acid
CID 114617990
2-(1-formamidocyclopentyl)acetic acid
CID 64672964
2-[1-[(2,2,2-trifluoroacetyl)amino]cyclobutyl]acetic acid
CID 79846628
2-[1-[(2-methylpiperidine-2-carbonyl)amino]cyclobutyl]acetic acid
CID 113430878
2-[1-[[2-(1-methoxycyclobutyl)acetyl]amino]cyclobutyl]acetic acid
CID 103555716

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[(Z)-2-methylbut-2-enoyl]amino]cyclobutyl]acetic acid?
The IUPAC name of 2-[1-[[(Z)-2-methylbut-2-enoyl]amino]cyclobutyl]acetic acid (CID 115909854) is 2-[1-[[(Z)-2-methylbut-2-enoyl]amino]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-[[(Z)-2-methylbut-2-enoyl]amino]cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-[[(Z)-2-methylbut-2-enoyl]amino]cyclobutyl]acetic acid is C/C=C(/C)C(=O)NC1(CC(=O)O)CCC1.
What is the InChIKey of 2-[1-[[(Z)-2-methylbut-2-enoyl]amino]cyclobutyl]acetic acid?
The InChIKey is SVMGNNLZUPCOMF-BAQGIRSFSA-N. The full InChI is InChI=1S/C11H17NO3/c1-3-8(2)10(15)12-11(5-4-6-11)7-9(13)14/h3H,4-7H2,1-2H3,(H,12,15)(H,13,14)/b8-3-.
What are the key properties of 2-[1-[[(Z)-2-methylbut-2-enoyl]amino]cyclobutyl]acetic acid?
2-[1-[[(Z)-2-methylbut-2-enoyl]amino]cyclobutyl]acetic acid has a molecular weight of 211.26 g/mol, XLogP of 1.47, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[(Z)-2-methylbut-2-enoyl]amino]cyclobutyl]acetic acid is sourced from PubChem (CID 115909854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).