2-(dimethylamino)-3-(prop-2-enoylamino)pentanoic acid

C10H18N2O3 — CID 87270007

IUPAC2-(dimethylamino)-3-(prop-2-enoylamino)pentanoic acid
SMILESC=CC(=O)NC(CC)C(C(=O)O)N(C)C
InChIInChI=1S/C10H18N2O3/c1-5-7(11-8(13)6-2)9(10(14)15)12(3)4/h6-7,9H,2,5H2,1,3-4H3,(H,11,13)(H,14,15)
InChIKeyVPVNBKMEOHUWPH-UHFFFAOYSA-N
MW214.26 g/mol
LogP0.08
Rot. Bonds6

About 2-(dimethylamino)-3-(prop-2-enoylamino)pentanoic acid

2-(dimethylamino)-3-(prop-2-enoylamino)pentanoic acid (PubChem CID 87270007) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is 2-(dimethylamino)-3-(prop-2-enoylamino)pentanoic acid.

Molecular Properties

Compound Name2-(dimethylamino)-3-(prop-2-enoylamino)pentanoic acid
PubChem CID87270007
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name2-(dimethylamino)-3-(prop-2-enoylamino)pentanoic acid
SMILESC=CC(=O)NC(CC)C(C(=O)O)N(C)C
InChIInChI=1S/C10H18N2O3/c1-5-7(11-8(13)6-2)9(10(14)15)12(3)4/h6-7,9H,2,5H2,1,3-4H3,(H,11,13)(H,14,15)
InChIKeyVPVNBKMEOHUWPH-UHFFFAOYSA-N
XLogP0.08
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 50.08
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 2-(dimethylamino)-3-(prop-2-enoylamino)pentanoic acid?
The IUPAC name of 2-(dimethylamino)-3-(prop-2-enoylamino)pentanoic acid (CID 87270007) is 2-(dimethylamino)-3-(prop-2-enoylamino)pentanoic acid.
What is the SMILES notation for 2-(dimethylamino)-3-(prop-2-enoylamino)pentanoic acid?
The canonical SMILES for 2-(dimethylamino)-3-(prop-2-enoylamino)pentanoic acid is C=CC(=O)NC(CC)C(C(=O)O)N(C)C.
What is the InChIKey of 2-(dimethylamino)-3-(prop-2-enoylamino)pentanoic acid?
The InChIKey is VPVNBKMEOHUWPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-5-7(11-8(13)6-2)9(10(14)15)12(3)4/h6-7,9H,2,5H2,1,3-4H3,(H,11,13)(H,14,15).
What are the key properties of 2-(dimethylamino)-3-(prop-2-enoylamino)pentanoic acid?
2-(dimethylamino)-3-(prop-2-enoylamino)pentanoic acid has a molecular weight of 214.26 g/mol, XLogP of 0.08, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-3-(prop-2-enoylamino)pentanoic acid is sourced from PubChem (CID 87270007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).