(Z)-2-(3-methylbutanoylamino)pent-2-enoic acid

C10H17NO3 — CID 19878216

IUPAC(Z)-2-(3-methylbutanoylamino)pent-2-enoic acid
SMILESCC/C=C(\NC(=O)CC(C)C)C(=O)O
InChIInChI=1S/C10H17NO3/c1-4-5-8(10(13)14)11-9(12)6-7(2)3/h5,7H,4,6H2,1-3H3,(H,11,12)(H,13,14)/b8-5-
InChIKeyAJVLMGINYDZYKX-YVMONPNESA-N
MW199.25 g/mol
LogP1.53
Rot. Bonds5

About (Z)-2-(3-methylbutanoylamino)pent-2-enoic acid

(Z)-2-(3-methylbutanoylamino)pent-2-enoic acid (PubChem CID 19878216) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is (Z)-2-(3-methylbutanoylamino)pent-2-enoic acid.

Molecular Properties

Compound Name(Z)-2-(3-methylbutanoylamino)pent-2-enoic acid
PubChem CID19878216
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name(Z)-2-(3-methylbutanoylamino)pent-2-enoic acid
SMILESCC/C=C(\NC(=O)CC(C)C)C(=O)O
InChIInChI=1S/C10H17NO3/c1-4-5-8(10(13)14)11-9(12)6-7(2)3/h5,7H,4,6H2,1-3H3,(H,11,12)(H,13,14)/b8-5-
InChIKeyAJVLMGINYDZYKX-YVMONPNESA-N
XLogP1.53
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 51.53
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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Frequently Asked Questions

What is the IUPAC name of (Z)-2-(3-methylbutanoylamino)pent-2-enoic acid?
The IUPAC name of (Z)-2-(3-methylbutanoylamino)pent-2-enoic acid (CID 19878216) is (Z)-2-(3-methylbutanoylamino)pent-2-enoic acid.
What is the SMILES notation for (Z)-2-(3-methylbutanoylamino)pent-2-enoic acid?
The canonical SMILES for (Z)-2-(3-methylbutanoylamino)pent-2-enoic acid is CC/C=C(\NC(=O)CC(C)C)C(=O)O.
What is the InChIKey of (Z)-2-(3-methylbutanoylamino)pent-2-enoic acid?
The InChIKey is AJVLMGINYDZYKX-YVMONPNESA-N. The full InChI is InChI=1S/C10H17NO3/c1-4-5-8(10(13)14)11-9(12)6-7(2)3/h5,7H,4,6H2,1-3H3,(H,11,12)(H,13,14)/b8-5-.
What are the key properties of (Z)-2-(3-methylbutanoylamino)pent-2-enoic acid?
(Z)-2-(3-methylbutanoylamino)pent-2-enoic acid has a molecular weight of 199.25 g/mol, XLogP of 1.53, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(3-methylbutanoylamino)pent-2-enoic acid is sourced from PubChem (CID 19878216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).