2-cyclopropyl-2-[[(E)-2-methylpent-2-enoyl]amino]propanoic acid

C12H19NO3 — CID 43163013

IUPAC2-cyclopropyl-2-[[(E)-2-methylpent-2-enoyl]amino]propanoic acid
SMILESCC/C=C(\C)C(=O)NC(C)(C(=O)O)C1CC1
InChIInChI=1S/C12H19NO3/c1-4-5-8(2)10(14)13-12(3,11(15)16)9-6-7-9/h5,9H,4,6-7H2,1-3H3,(H,13,14)(H,15,16)/b8-5+
InChIKeyGUOVQNIQFKUEOJ-VMPITWQZSA-N
MW225.29 g/mol
LogP1.71
Rot. Bonds5

About 2-cyclopropyl-2-[[(E)-2-methylpent-2-enoyl]amino]propanoic acid

2-cyclopropyl-2-[[(E)-2-methylpent-2-enoyl]amino]propanoic acid (PubChem CID 43163013) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is 2-cyclopropyl-2-[[(E)-2-methylpent-2-enoyl]amino]propanoic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[[(E)-2-methylpent-2-enoyl]amino]propanoic acid
PubChem CID43163013
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name2-cyclopropyl-2-[[(E)-2-methylpent-2-enoyl]amino]propanoic acid
SMILESCC/C=C(\C)C(=O)NC(C)(C(=O)O)C1CC1
InChIInChI=1S/C12H19NO3/c1-4-5-8(2)10(14)13-12(3,11(15)16)9-6-7-9/h5,9H,4,6-7H2,1-3H3,(H,13,14)(H,15,16)/b8-5+
InChIKeyGUOVQNIQFKUEOJ-VMPITWQZSA-N
XLogP1.71
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.71
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 2-cyclopropyl-2-[[(E)-2-methylpent-2-enoyl]amino]propanoic acid?
The IUPAC name of 2-cyclopropyl-2-[[(E)-2-methylpent-2-enoyl]amino]propanoic acid (CID 43163013) is 2-cyclopropyl-2-[[(E)-2-methylpent-2-enoyl]amino]propanoic acid.
What is the SMILES notation for 2-cyclopropyl-2-[[(E)-2-methylpent-2-enoyl]amino]propanoic acid?
The canonical SMILES for 2-cyclopropyl-2-[[(E)-2-methylpent-2-enoyl]amino]propanoic acid is CC/C=C(\C)C(=O)NC(C)(C(=O)O)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-[[(E)-2-methylpent-2-enoyl]amino]propanoic acid?
The InChIKey is GUOVQNIQFKUEOJ-VMPITWQZSA-N. The full InChI is InChI=1S/C12H19NO3/c1-4-5-8(2)10(14)13-12(3,11(15)16)9-6-7-9/h5,9H,4,6-7H2,1-3H3,(H,13,14)(H,15,16)/b8-5+.
What are the key properties of 2-cyclopropyl-2-[[(E)-2-methylpent-2-enoyl]amino]propanoic acid?
2-cyclopropyl-2-[[(E)-2-methylpent-2-enoyl]amino]propanoic acid has a molecular weight of 225.29 g/mol, XLogP of 1.71, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[[(E)-2-methylpent-2-enoyl]amino]propanoic acid is sourced from PubChem (CID 43163013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).