(4-amino-4-carboxybutyl)-dimethyl-prop-2-enoylazanium

C10H19N2O3+ — CID 87930051

IUPAC(4-amino-4-carboxybutyl)-dimethyl-prop-2-enoylazanium
SMILESC=CC(=O)[N+](C)(C)CCCC(N)C(=O)O
InChIInChI=1S/C10H18N2O3/c1-4-9(13)12(2,3)7-5-6-8(11)10(14)15/h4,8H,1,5-7,11H2,2-3H3/p+1
InChIKeyASXNRRSEQZMGNM-UHFFFAOYSA-O
MW215.27 g/mol
LogP-0.03
Rot. Bonds6

About (4-amino-4-carboxybutyl)-dimethyl-prop-2-enoylazanium

(4-amino-4-carboxybutyl)-dimethyl-prop-2-enoylazanium (PubChem CID 87930051) has the molecular formula C10H19N2O3+ and a molecular weight of 215.27 g/mol. Its IUPAC name is (4-amino-4-carboxybutyl)-dimethyl-prop-2-enoylazanium.

Molecular Properties

Compound Name(4-amino-4-carboxybutyl)-dimethyl-prop-2-enoylazanium
PubChem CID87930051
Molecular FormulaC10H19N2O3+
Molecular Weight215.27 g/mol
Exact Mass215.14
IUPAC Name(4-amino-4-carboxybutyl)-dimethyl-prop-2-enoylazanium
SMILESC=CC(=O)[N+](C)(C)CCCC(N)C(=O)O
InChIInChI=1S/C10H18N2O3/c1-4-9(13)12(2,3)7-5-6-8(11)10(14)15/h4,8H,1,5-7,11H2,2-3H3/p+1
InChIKeyASXNRRSEQZMGNM-UHFFFAOYSA-O
XLogP-0.03
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.27
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

(S)-6-Acrylamido-2-aminohexanoic acid
CID 11641210
(2R)-2-amino-5-[[(E)-4-fluoro-4-oxobut-2-enoyl]amino]pentanoic acid
CID 155426123
(2S)-2-amino-5-[[(E)-4-fluoro-4-oxobut-2-enoyl]amino]pentanoic acid
CID 155426250
2-Amino-6-(prop-2-enoylamino)hexanoic acid
CID 324201
2-(l-gamma-Glutamylamino)ethyl acrylamide
CID 138404197
2-(l-gamma-Glutamyl-l-alpha-aminobutyrylamino)ethyl acrylamide
CID 138404227
2-Amino-5-(prop-2-enoylamino)pentanoic acid
CID 10197981
(2S)-2-amino-5-(prop-2-enoylamino)pentanoic acid
CID 11654969
2-(Prop-2-enoylamino)pentanoic acid
CID 18798141
5-(Carbamoylamino)-2-(prop-2-enoylamino)pentanoic acid
CID 18798148
5-(Prop-2-enamido)pentanoic acid
CID 20387976
(1-Amino-1-carboxybutan-2-yl)-dimethyl-prop-2-enoylazanium
CID 21262198

Frequently Asked Questions

What is the IUPAC name of (4-amino-4-carboxybutyl)-dimethyl-prop-2-enoylazanium?
The IUPAC name of (4-amino-4-carboxybutyl)-dimethyl-prop-2-enoylazanium (CID 87930051) is (4-amino-4-carboxybutyl)-dimethyl-prop-2-enoylazanium.
What is the SMILES notation for (4-amino-4-carboxybutyl)-dimethyl-prop-2-enoylazanium?
The canonical SMILES for (4-amino-4-carboxybutyl)-dimethyl-prop-2-enoylazanium is C=CC(=O)[N+](C)(C)CCCC(N)C(=O)O.
What is the InChIKey of (4-amino-4-carboxybutyl)-dimethyl-prop-2-enoylazanium?
The InChIKey is ASXNRRSEQZMGNM-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H18N2O3/c1-4-9(13)12(2,3)7-5-6-8(11)10(14)15/h4,8H,1,5-7,11H2,2-3H3/p+1.
What are the key properties of (4-amino-4-carboxybutyl)-dimethyl-prop-2-enoylazanium?
(4-amino-4-carboxybutyl)-dimethyl-prop-2-enoylazanium has a molecular weight of 215.27 g/mol, XLogP of -0.03, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-4-carboxybutyl)-dimethyl-prop-2-enoylazanium is sourced from PubChem (CID 87930051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).