1-(3-methylpent-2-enoylamino)cyclobutane-1-carboxylic acid

C11H17NO3 — CID 123645170

IUPAC1-(3-methylpent-2-enoylamino)cyclobutane-1-carboxylic acid
SMILESCCC(C)=CC(=O)NC1(C(=O)O)CCC1
InChIInChI=1S/C11H17NO3/c1-3-8(2)7-9(13)12-11(10(14)15)5-4-6-11/h7H,3-6H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyRJUOECOIPLFJKB-UHFFFAOYSA-N
MW211.26 g/mol
LogP1.47
Rot. Bonds4

About 1-(3-methylpent-2-enoylamino)cyclobutane-1-carboxylic acid

1-(3-methylpent-2-enoylamino)cyclobutane-1-carboxylic acid (PubChem CID 123645170) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is 1-(3-methylpent-2-enoylamino)cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-(3-methylpent-2-enoylamino)cyclobutane-1-carboxylic acid
PubChem CID123645170
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name1-(3-methylpent-2-enoylamino)cyclobutane-1-carboxylic acid
SMILESCCC(C)=CC(=O)NC1(C(=O)O)CCC1
InChIInChI=1S/C11H17NO3/c1-3-8(2)7-9(13)12-11(10(14)15)5-4-6-11/h7H,3-6H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyRJUOECOIPLFJKB-UHFFFAOYSA-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

1-[[(2E)-3,7-dimethylocta-2,6-dienoyl]amino]cyclopropane-1-carboxylic acid
CID 89834053
1-[[(E)-3-methylpent-2-enoyl]amino]cyclopropane-1-carboxylic acid
CID 89976483
1-[[(E)-3-methylhex-2-enoyl]amino]cyclopropane-1-carboxylic acid
CID 89976493
1-(3,7-Dimethylocta-2,6-dienoylamino)cyclopropane-1-carboxylic acid
CID 123195454
1-[[(E)-2-methylpent-2-enoyl]amino]cyclopentane-1-carboxylic acid
CID 43162956
2-cyclopropyl-2-[[(E)-2-methylpent-2-enoyl]amino]propanoic acid
CID 43163013
2-Methyl-2-(3-methylbut-2-enoylamino)pentanoic acid
CID 43618492
2-methyl-2-[[(E)-2-methylpent-2-enoyl]amino]pentanoic acid
CID 43618652
2-[[(E)-but-2-enoyl]amino]-2-methylpentanoic acid
CID 43618661
methyl 2-methyl-2-[[(E)-2-methylpent-2-enoyl]amino]pentanoate
CID 43623945
2-[[(E)-2-methylpent-2-enoyl]amino]pentanoic acid
CID 43630396
2-Methyl-2-(2-methylpent-2-enoylamino)propanoic acid
CID 61261876

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylpent-2-enoylamino)cyclobutane-1-carboxylic acid?
The IUPAC name of 1-(3-methylpent-2-enoylamino)cyclobutane-1-carboxylic acid (CID 123645170) is 1-(3-methylpent-2-enoylamino)cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-(3-methylpent-2-enoylamino)cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-(3-methylpent-2-enoylamino)cyclobutane-1-carboxylic acid is CCC(C)=CC(=O)NC1(C(=O)O)CCC1.
What is the InChIKey of 1-(3-methylpent-2-enoylamino)cyclobutane-1-carboxylic acid?
The InChIKey is RJUOECOIPLFJKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c1-3-8(2)7-9(13)12-11(10(14)15)5-4-6-11/h7H,3-6H2,1-2H3,(H,12,13)(H,14,15).
What are the key properties of 1-(3-methylpent-2-enoylamino)cyclobutane-1-carboxylic acid?
1-(3-methylpent-2-enoylamino)cyclobutane-1-carboxylic 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 1-(3-methylpent-2-enoylamino)cyclobutane-1-carboxylic acid is sourced from PubChem (CID 123645170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).