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

C10H20N2O2 — CID 175069264

IUPAC2-(dimethylamino)-3-(prop-2-enylamino)pentanoic acid
SMILESC=CCNC(CC)C(C(=O)O)N(C)C
InChIInChI=1S/C10H20N2O2/c1-5-7-11-8(6-2)9(10(13)14)12(3)4/h5,8-9,11H,1,6-7H2,2-4H3,(H,13,14)
InChIKeyAVRXGLQPJLSUSL-UHFFFAOYSA-N
MW200.28 g/mol
LogP0.56
Rot. Bonds7

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

2-(dimethylamino)-3-(prop-2-enylamino)pentanoic acid (PubChem CID 175069264) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 2-(dimethylamino)-3-(prop-2-enylamino)pentanoic acid.

Molecular Properties

Compound Name2-(dimethylamino)-3-(prop-2-enylamino)pentanoic acid
PubChem CID175069264
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name2-(dimethylamino)-3-(prop-2-enylamino)pentanoic acid
SMILESC=CCNC(CC)C(C(=O)O)N(C)C
InChIInChI=1S/C10H20N2O2/c1-5-7-11-8(6-2)9(10(13)14)12(3)4/h5,8-9,11H,1,6-7H2,2-4H3,(H,13,14)
InChIKeyAVRXGLQPJLSUSL-UHFFFAOYSA-N
XLogP0.56
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Allyllysine
CID 54094013
2,3-Bis(prop-2-enylamino)butanedioic acid
CID 13186906
4-Methyl-2-(prop-2-enylamino)pentanoic acid
CID 21218065
(1-Amino-1-carboxybutan-2-yl)-dimethyl-prop-2-enoylazanium
CID 21262198
2-(Prop-2-enylamino)pentanoic acid
CID 43631655
(2S)-4-methyl-2-(prop-2-enylamino)pentanoic acid
CID 54440768
(2S)-2-(methylamino)-3-(prop-2-enylamino)propanoic acid
CID 59882209
(2S)-2-(methylamino)-3-[methyl(prop-2-enyl)amino]propanoic acid
CID 59882216
2-(Prop-2-enylamino)hexanoic acid
CID 62352884
3-Methyl-2-(prop-2-enylamino)pentanoic acid
CID 62352885
3-Amino-2-[1-aminoethyl(prop-2-enyl)amino]butanoic acid
CID 87059532
6-Amino-2-(prop-2-enylamino)hexanoic acid
CID 87168024

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-3-(prop-2-enylamino)pentanoic acid?
The IUPAC name of 2-(dimethylamino)-3-(prop-2-enylamino)pentanoic acid (CID 175069264) is 2-(dimethylamino)-3-(prop-2-enylamino)pentanoic acid.
What is the SMILES notation for 2-(dimethylamino)-3-(prop-2-enylamino)pentanoic acid?
The canonical SMILES for 2-(dimethylamino)-3-(prop-2-enylamino)pentanoic acid is C=CCNC(CC)C(C(=O)O)N(C)C.
What is the InChIKey of 2-(dimethylamino)-3-(prop-2-enylamino)pentanoic acid?
The InChIKey is AVRXGLQPJLSUSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-5-7-11-8(6-2)9(10(13)14)12(3)4/h5,8-9,11H,1,6-7H2,2-4H3,(H,13,14).
What are the key properties of 2-(dimethylamino)-3-(prop-2-enylamino)pentanoic acid?
2-(dimethylamino)-3-(prop-2-enylamino)pentanoic acid has a molecular weight of 200.28 g/mol, XLogP of 0.56, 7 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-enylamino)pentanoic acid is sourced from PubChem (CID 175069264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).