(2R)-2-[bis(prop-2-enyl)amino]-2-(2-methylpropyl)pent-4-enoic acid

C15H25NO2 — CID 91306070

IUPAC(2R)-2-[bis(prop-2-enyl)amino]-2-(2-methylpropyl)pent-4-enoic acid
SMILESC=CCN(CC=C)[C@@](CC=C)(CC(C)C)C(=O)O
InChIInChI=1S/C15H25NO2/c1-6-9-15(14(17)18,12-13(4)5)16(10-7-2)11-8-3/h6-8,13H,1-3,9-12H2,4-5H3,(H,17,18)/t15-/m0/s1
InChIKeyKZGDRZCAFDDJBN-HNNXBMFYSA-N
MW251.37 g/mol
LogP3.11
Rot. Bonds10

About (2R)-2-[bis(prop-2-enyl)amino]-2-(2-methylpropyl)pent-4-enoic acid

(2R)-2-[bis(prop-2-enyl)amino]-2-(2-methylpropyl)pent-4-enoic acid (PubChem CID 91306070) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is (2R)-2-[bis(prop-2-enyl)amino]-2-(2-methylpropyl)pent-4-enoic acid.

Molecular Properties

Compound Name(2R)-2-[bis(prop-2-enyl)amino]-2-(2-methylpropyl)pent-4-enoic acid
PubChem CID91306070
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name(2R)-2-[bis(prop-2-enyl)amino]-2-(2-methylpropyl)pent-4-enoic acid
SMILESC=CCN(CC=C)[C@@](CC=C)(CC(C)C)C(=O)O
InChIInChI=1S/C15H25NO2/c1-6-9-15(14(17)18,12-13(4)5)16(10-7-2)11-8-3/h6-8,13H,1-3,9-12H2,4-5H3,(H,17,18)/t15-/m0/s1
InChIKeyKZGDRZCAFDDJBN-HNNXBMFYSA-N
XLogP3.11
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[bis(prop-2-enyl)amino]-2-(2-methylpropyl)pent-4-enoic acid?
The IUPAC name of (2R)-2-[bis(prop-2-enyl)amino]-2-(2-methylpropyl)pent-4-enoic acid (CID 91306070) is (2R)-2-[bis(prop-2-enyl)amino]-2-(2-methylpropyl)pent-4-enoic acid.
What is the SMILES notation for (2R)-2-[bis(prop-2-enyl)amino]-2-(2-methylpropyl)pent-4-enoic acid?
The canonical SMILES for (2R)-2-[bis(prop-2-enyl)amino]-2-(2-methylpropyl)pent-4-enoic acid is C=CCN(CC=C)[C@@](CC=C)(CC(C)C)C(=O)O.
What is the InChIKey of (2R)-2-[bis(prop-2-enyl)amino]-2-(2-methylpropyl)pent-4-enoic acid?
The InChIKey is KZGDRZCAFDDJBN-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-6-9-15(14(17)18,12-13(4)5)16(10-7-2)11-8-3/h6-8,13H,1-3,9-12H2,4-5H3,(H,17,18)/t15-/m0/s1.
What are the key properties of (2R)-2-[bis(prop-2-enyl)amino]-2-(2-methylpropyl)pent-4-enoic acid?
(2R)-2-[bis(prop-2-enyl)amino]-2-(2-methylpropyl)pent-4-enoic acid has a molecular weight of 251.37 g/mol, XLogP of 3.11, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[bis(prop-2-enyl)amino]-2-(2-methylpropyl)pent-4-enoic acid is sourced from PubChem (CID 91306070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).