(2-amino-2-oxoethyl)-(3-carboxypentyl)-methylazanium

C9H19N2O3+ — CID 166463567

IUPAC(2-amino-2-oxoethyl)-(3-carboxypentyl)-methylazanium
SMILESCCC(CC[NH+](C)CC(N)=O)C(=O)O
InChIInChI=1S/C9H18N2O3/c1-3-7(9(13)14)4-5-11(2)6-8(10)12/h7H,3-6H2,1-2H3,(H2,10,12)(H,13,14)/p+1
InChIKeyITBQCLSGNXPRKU-UHFFFAOYSA-O
MW203.26 g/mol
LogP-1.51
Rot. Bonds7

About (2-amino-2-oxoethyl)-(3-carboxypentyl)-methylazanium

(2-amino-2-oxoethyl)-(3-carboxypentyl)-methylazanium (PubChem CID 166463567) has the molecular formula C9H19N2O3+ and a molecular weight of 203.26 g/mol. Its IUPAC name is (2-amino-2-oxoethyl)-(3-carboxypentyl)-methylazanium.

Molecular Properties

Compound Name(2-amino-2-oxoethyl)-(3-carboxypentyl)-methylazanium
PubChem CID166463567
Molecular FormulaC9H19N2O3+
Molecular Weight203.26 g/mol
Exact Mass203.14
IUPAC Name(2-amino-2-oxoethyl)-(3-carboxypentyl)-methylazanium
SMILESCCC(CC[NH+](C)CC(N)=O)C(=O)O
InChIInChI=1S/C9H18N2O3/c1-3-7(9(13)14)4-5-11(2)6-8(10)12/h7H,3-6H2,1-2H3,(H2,10,12)(H,13,14)/p+1
InChIKeyITBQCLSGNXPRKU-UHFFFAOYSA-O
XLogP-1.51
TPSA84.83 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.26
LogP ≤ 5-1.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-amino-2-oxoethyl)-(3-carboxypentyl)-methylazanium?
The IUPAC name of (2-amino-2-oxoethyl)-(3-carboxypentyl)-methylazanium (CID 166463567) is (2-amino-2-oxoethyl)-(3-carboxypentyl)-methylazanium.
What is the SMILES notation for (2-amino-2-oxoethyl)-(3-carboxypentyl)-methylazanium?
The canonical SMILES for (2-amino-2-oxoethyl)-(3-carboxypentyl)-methylazanium is CCC(CC[NH+](C)CC(N)=O)C(=O)O.
What is the InChIKey of (2-amino-2-oxoethyl)-(3-carboxypentyl)-methylazanium?
The InChIKey is ITBQCLSGNXPRKU-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H18N2O3/c1-3-7(9(13)14)4-5-11(2)6-8(10)12/h7H,3-6H2,1-2H3,(H2,10,12)(H,13,14)/p+1.
What are the key properties of (2-amino-2-oxoethyl)-(3-carboxypentyl)-methylazanium?
(2-amino-2-oxoethyl)-(3-carboxypentyl)-methylazanium has a molecular weight of 203.26 g/mol, XLogP of -1.51, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-2-oxoethyl)-(3-carboxypentyl)-methylazanium is sourced from PubChem (CID 166463567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).