(Z)-2-[(2-cyclobutyl-2-oxoethyl)amino]-4-cyclopropyl-3-methylbut-2-enoic acid

C14H21NO3 — CID 174354790

IUPAC(Z)-2-[(2-cyclobutyl-2-oxoethyl)amino]-4-cyclopropyl-3-methylbut-2-enoic acid
SMILESC/C(CC1CC1)=C(/NCC(=O)C1CCC1)C(=O)O
InChIInChI=1S/C14H21NO3/c1-9(7-10-5-6-10)13(14(17)18)15-8-12(16)11-3-2-4-11/h10-11,15H,2-8H2,1H3,(H,17,18)/b13-9-
InChIKeyGLLAGCYEVDZWLF-LCYFTJDESA-N
MW251.33 g/mol
LogP2.10
Rot. Bonds7

About (Z)-2-[(2-cyclobutyl-2-oxoethyl)amino]-4-cyclopropyl-3-methylbut-2-enoic acid

(Z)-2-[(2-cyclobutyl-2-oxoethyl)amino]-4-cyclopropyl-3-methylbut-2-enoic acid (PubChem CID 174354790) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is (Z)-2-[(2-cyclobutyl-2-oxoethyl)amino]-4-cyclopropyl-3-methylbut-2-enoic acid.

Molecular Properties

Compound Name(Z)-2-[(2-cyclobutyl-2-oxoethyl)amino]-4-cyclopropyl-3-methylbut-2-enoic acid
PubChem CID174354790
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name(Z)-2-[(2-cyclobutyl-2-oxoethyl)amino]-4-cyclopropyl-3-methylbut-2-enoic acid
SMILESC/C(CC1CC1)=C(/NCC(=O)C1CCC1)C(=O)O
InChIInChI=1S/C14H21NO3/c1-9(7-10-5-6-10)13(14(17)18)15-8-12(16)11-3-2-4-11/h10-11,15H,2-8H2,1H3,(H,17,18)/b13-9-
InChIKeyGLLAGCYEVDZWLF-LCYFTJDESA-N
XLogP2.10
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-[(2-cyclobutyl-2-oxoethyl)amino]-4-cyclopropyl-3-methylbut-2-enoic acid?
The IUPAC name of (Z)-2-[(2-cyclobutyl-2-oxoethyl)amino]-4-cyclopropyl-3-methylbut-2-enoic acid (CID 174354790) is (Z)-2-[(2-cyclobutyl-2-oxoethyl)amino]-4-cyclopropyl-3-methylbut-2-enoic acid.
What is the SMILES notation for (Z)-2-[(2-cyclobutyl-2-oxoethyl)amino]-4-cyclopropyl-3-methylbut-2-enoic acid?
The canonical SMILES for (Z)-2-[(2-cyclobutyl-2-oxoethyl)amino]-4-cyclopropyl-3-methylbut-2-enoic acid is C/C(CC1CC1)=C(/NCC(=O)C1CCC1)C(=O)O.
What is the InChIKey of (Z)-2-[(2-cyclobutyl-2-oxoethyl)amino]-4-cyclopropyl-3-methylbut-2-enoic acid?
The InChIKey is GLLAGCYEVDZWLF-LCYFTJDESA-N. The full InChI is InChI=1S/C14H21NO3/c1-9(7-10-5-6-10)13(14(17)18)15-8-12(16)11-3-2-4-11/h10-11,15H,2-8H2,1H3,(H,17,18)/b13-9-.
What are the key properties of (Z)-2-[(2-cyclobutyl-2-oxoethyl)amino]-4-cyclopropyl-3-methylbut-2-enoic acid?
(Z)-2-[(2-cyclobutyl-2-oxoethyl)amino]-4-cyclopropyl-3-methylbut-2-enoic acid has a molecular weight of 251.33 g/mol, XLogP of 2.10, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-[(2-cyclobutyl-2-oxoethyl)amino]-4-cyclopropyl-3-methylbut-2-enoic acid is sourced from PubChem (CID 174354790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).