(2S)-5-(dimethylamino)-2-(prop-2-enoylamino)pentanoic acid

C10H18N2O3 — CID 54422723

IUPAC(2S)-5-(dimethylamino)-2-(prop-2-enoylamino)pentanoic acid
SMILESC=CC(=O)N[C@@H](CCCN(C)C)C(=O)O
InChIInChI=1S/C10H18N2O3/c1-4-9(13)11-8(10(14)15)6-5-7-12(2)3/h4,8H,1,5-7H2,2-3H3,(H,11,13)(H,14,15)/t8-/m0/s1
InChIKeyWBYBKAMSSBEYJA-QMMMGPOBSA-N
MW214.26 g/mol
LogP0.08
Rot. Bonds7

About (2S)-5-(dimethylamino)-2-(prop-2-enoylamino)pentanoic acid

(2S)-5-(dimethylamino)-2-(prop-2-enoylamino)pentanoic acid (PubChem CID 54422723) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is (2S)-5-(dimethylamino)-2-(prop-2-enoylamino)pentanoic acid.

Molecular Properties

Compound Name(2S)-5-(dimethylamino)-2-(prop-2-enoylamino)pentanoic acid
PubChem CID54422723
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name(2S)-5-(dimethylamino)-2-(prop-2-enoylamino)pentanoic acid
SMILESC=CC(=O)N[C@@H](CCCN(C)C)C(=O)O
InChIInChI=1S/C10H18N2O3/c1-4-9(13)11-8(10(14)15)6-5-7-12(2)3/h4,8H,1,5-7H2,2-3H3,(H,11,13)(H,14,15)/t8-/m0/s1
InChIKeyWBYBKAMSSBEYJA-QMMMGPOBSA-N
XLogP0.08
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
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'}

Analyze (2S)-5-(dimethylamino)-2-(prop-2-enoylamino)pentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(prop-2-enoylamino)pentanoic acid
CID 18798141
2,6-bis(prop-2-enoylamino)hexanoic acid
CID 156696069
(2S)-2-(prop-2-enoylamino)pentanedioic acid;hydrate
CID 171060630
2-[14-(dimethylamino)tetradecanoylamino]-4-sulfanylbutanoic acid
CID 89495807
4-[[3-carboxy-3-[13-(dimethylamino)tridecanoylamino]propyl]disulfanyl]-2-[13-(dimethylamino)tridecanoylamino]butanoic acid
CID 89495879
4-[[3-carboxy-3-[10-(dimethylamino)decanoylamino]propyl]disulfanyl]-2-[10-(dimethylamino)decanoylamino]butanoic acid
CID 89495878
2-[[(E)-but-2-enoyl]amino]hexanoic acid
CID 43469928
2-[19-(dimethylamino)nonadecanoylamino]-4-methylsulfanylbutanoic acid
CID 130455615
2-(2-methylprop-2-enoylamino)-6-(prop-2-enoylamino)hexanoic acid
CID 152515110
3-[[2-carboxy-2-[14-(dimethylamino)tetradecanoylamino]ethyl]disulfanyl]-2-[14-(dimethylamino)tetradecanoylamino]propanoic acid
CID 89495813
3-[[2-carboxy-2-[10-(dimethylamino)decanoylamino]ethyl]disulfanyl]-2-[10-(dimethylamino)decanoylamino]propanoic acid
CID 89495809
N-[5-(diethylamino)pentan-2-yl]prop-2-enamide
CID 43616329

Frequently Asked Questions

What is the IUPAC name of (2S)-5-(dimethylamino)-2-(prop-2-enoylamino)pentanoic acid?
The IUPAC name of (2S)-5-(dimethylamino)-2-(prop-2-enoylamino)pentanoic acid (CID 54422723) is (2S)-5-(dimethylamino)-2-(prop-2-enoylamino)pentanoic acid.
What is the SMILES notation for (2S)-5-(dimethylamino)-2-(prop-2-enoylamino)pentanoic acid?
The canonical SMILES for (2S)-5-(dimethylamino)-2-(prop-2-enoylamino)pentanoic acid is C=CC(=O)N[C@@H](CCCN(C)C)C(=O)O.
What is the InChIKey of (2S)-5-(dimethylamino)-2-(prop-2-enoylamino)pentanoic acid?
The InChIKey is WBYBKAMSSBEYJA-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-4-9(13)11-8(10(14)15)6-5-7-12(2)3/h4,8H,1,5-7H2,2-3H3,(H,11,13)(H,14,15)/t8-/m0/s1.
What are the key properties of (2S)-5-(dimethylamino)-2-(prop-2-enoylamino)pentanoic acid?
(2S)-5-(dimethylamino)-2-(prop-2-enoylamino)pentanoic acid has a molecular weight of 214.26 g/mol, XLogP of 0.08, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-(dimethylamino)-2-(prop-2-enoylamino)pentanoic acid is sourced from PubChem (CID 54422723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).