1-[[[(Z)-2-methylpent-2-enoyl]amino]methyl]cyclopropane-1-carboxylic acid

C11H17NO3 — CID 115449763

IUPAC1-[[[(Z)-2-methylpent-2-enoyl]amino]methyl]cyclopropane-1-carboxylic acid
SMILESCC/C=C(/C)C(=O)NCC1(C(=O)O)CC1
InChIInChI=1S/C11H17NO3/c1-3-4-8(2)9(13)12-7-11(5-6-11)10(14)15/h4H,3,5-7H2,1-2H3,(H,12,13)(H,14,15)/b8-4-
InChIKeyQPJUZLHUSOCCQV-YWEYNIOJSA-N
MW211.26 g/mol
LogP1.32
Rot. Bonds5

About 1-[[[(Z)-2-methylpent-2-enoyl]amino]methyl]cyclopropane-1-carboxylic acid

1-[[[(Z)-2-methylpent-2-enoyl]amino]methyl]cyclopropane-1-carboxylic acid (PubChem CID 115449763) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is 1-[[[(Z)-2-methylpent-2-enoyl]amino]methyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[[(Z)-2-methylpent-2-enoyl]amino]methyl]cyclopropane-1-carboxylic acid
PubChem CID115449763
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name1-[[[(Z)-2-methylpent-2-enoyl]amino]methyl]cyclopropane-1-carboxylic acid
SMILESCC/C=C(/C)C(=O)NCC1(C(=O)O)CC1
InChIInChI=1S/C11H17NO3/c1-3-4-8(2)9(13)12-7-11(5-6-11)10(14)15/h4H,3,5-7H2,1-2H3,(H,12,13)(H,14,15)/b8-4-
InChIKeyQPJUZLHUSOCCQV-YWEYNIOJSA-N
XLogP1.32
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.32
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

N-[(1-hydroxy-4-methylcyclohexyl)methyl]-2-methylpent-2-enamide
CID 77056645
(E)-N-[[(1R,2R)-2-ethylsulfanyl-1-hydroxycyclobutyl]methyl]-2-methylpent-2-enamide
CID 95972535
1-[(diethylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid
CID 115450090
1-[(3-methylpentan-3-ylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid
CID 106330695
1-[(4-methoxybutanoylamino)methyl]cyclopropane-1-carboxylic acid
CID 115449369
(2S)-2-hydroxy-3-[[(Z)-2-methylpent-2-enoyl]amino]propanoic acid
CID 107833074
1-[(2-acetamidoethylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid
CID 115451265
2-[1-(2-methylpent-2-enoylamino)cyclobutyl]acetic acid
CID 79849242
1-[(buta-1,3-dien-2-ylamino)methyl]cyclopropane-1-carboxylic acid
CID 146338302
1-[(ethoxycarbonylamino)methyl]cyclohexane-1-carboxylic acid
CID 115435935
1-[(butan-2-ylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid
CID 115451089
1-[(propan-2-ylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid
CID 53397422

Frequently Asked Questions

What is the IUPAC name of 1-[[[(Z)-2-methylpent-2-enoyl]amino]methyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[[[(Z)-2-methylpent-2-enoyl]amino]methyl]cyclopropane-1-carboxylic acid (CID 115449763) is 1-[[[(Z)-2-methylpent-2-enoyl]amino]methyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[[[(Z)-2-methylpent-2-enoyl]amino]methyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[[[(Z)-2-methylpent-2-enoyl]amino]methyl]cyclopropane-1-carboxylic acid is CC/C=C(/C)C(=O)NCC1(C(=O)O)CC1.
What is the InChIKey of 1-[[[(Z)-2-methylpent-2-enoyl]amino]methyl]cyclopropane-1-carboxylic acid?
The InChIKey is QPJUZLHUSOCCQV-YWEYNIOJSA-N. The full InChI is InChI=1S/C11H17NO3/c1-3-4-8(2)9(13)12-7-11(5-6-11)10(14)15/h4H,3,5-7H2,1-2H3,(H,12,13)(H,14,15)/b8-4-.
What are the key properties of 1-[[[(Z)-2-methylpent-2-enoyl]amino]methyl]cyclopropane-1-carboxylic acid?
1-[[[(Z)-2-methylpent-2-enoyl]amino]methyl]cyclopropane-1-carboxylic acid has a molecular weight of 211.26 g/mol, XLogP of 1.32, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[(Z)-2-methylpent-2-enoyl]amino]methyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 115449763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).