2-[[4-[(dimethylamino)methyl]piperidine-1-carbonyl]-ethylamino]acetic acid

C13H25N3O3 — CID 54986151

IUPAC2-[[4-[(dimethylamino)methyl]piperidine-1-carbonyl]-ethylamino]acetic acid
SMILESCCN(CC(=O)O)C(=O)N1CCC(CN(C)C)CC1
InChIInChI=1S/C13H25N3O3/c1-4-15(10-12(17)18)13(19)16-7-5-11(6-8-16)9-14(2)3/h11H,4-10H2,1-3H3,(H,17,18)
InChIKeyVQMCDFBRJXHQRE-UHFFFAOYSA-N
MW271.36 g/mol
LogP0.79
Rot. Bonds5

About 2-[[4-[(dimethylamino)methyl]piperidine-1-carbonyl]-ethylamino]acetic acid

2-[[4-[(dimethylamino)methyl]piperidine-1-carbonyl]-ethylamino]acetic acid (PubChem CID 54986151) has the molecular formula C13H25N3O3 and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-[[4-[(dimethylamino)methyl]piperidine-1-carbonyl]-ethylamino]acetic acid.

Molecular Properties

Compound Name2-[[4-[(dimethylamino)methyl]piperidine-1-carbonyl]-ethylamino]acetic acid
PubChem CID54986151
Molecular FormulaC13H25N3O3
Molecular Weight271.36 g/mol
Exact Mass271.19
IUPAC Name2-[[4-[(dimethylamino)methyl]piperidine-1-carbonyl]-ethylamino]acetic acid
SMILESCCN(CC(=O)O)C(=O)N1CCC(CN(C)C)CC1
InChIInChI=1S/C13H25N3O3/c1-4-15(10-12(17)18)13(19)16-7-5-11(6-8-16)9-14(2)3/h11H,4-10H2,1-3H3,(H,17,18)
InChIKeyVQMCDFBRJXHQRE-UHFFFAOYSA-N
XLogP0.79
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[ethyl-[4-(hydroxymethyl)piperidine-1-carbonyl]amino]acetic acid
CID 61195912
2-[ethyl-(4-hydroxypiperidine-1-carbonyl)amino]acetic acid
CID 61190974
2-[1-[cyclopropylmethyl(ethyl)carbamoyl]piperidin-4-yl]acetic acid
CID 79606749
2-[ethyl(pyrrolidine-1-carbonyl)amino]acetic acid
CID 61187489
2-[cyclopropylmethyl-[4-(hydroxymethyl)piperidine-1-carbonyl]amino]acetic acid
CID 43656071
2-[(4-ethoxypiperidine-1-carbonyl)-ethylamino]acetic acid
CID 61216523
2-[1-[ethyl(2-methylprop-2-enyl)carbamoyl]piperidin-4-yl]acetic acid
CID 79608327
2-[cyclopropylmethyl(piperidine-1-carbonyl)amino]acetic acid
CID 43655845
2-[carboxymethyl-(3-propylpyrrolidine-1-carbonyl)amino]acetic acid
CID 113418333
N-(cyclobutylmethyl)-N-ethylpyrrolidine-1-carboxamide
CID 107397947
2-[cyclopropylmethyl-(1,1-dioxo-1,4-thiazinane-4-carbonyl)amino]acetic acid
CID 43656162
(2S)-2-[[4-[(dimethylamino)methyl]piperidine-1-carbonyl]-methylamino]-3-methylbutanoic acid
CID 178019993

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(dimethylamino)methyl]piperidine-1-carbonyl]-ethylamino]acetic acid?
The IUPAC name of 2-[[4-[(dimethylamino)methyl]piperidine-1-carbonyl]-ethylamino]acetic acid (CID 54986151) is 2-[[4-[(dimethylamino)methyl]piperidine-1-carbonyl]-ethylamino]acetic acid.
What is the SMILES notation for 2-[[4-[(dimethylamino)methyl]piperidine-1-carbonyl]-ethylamino]acetic acid?
The canonical SMILES for 2-[[4-[(dimethylamino)methyl]piperidine-1-carbonyl]-ethylamino]acetic acid is CCN(CC(=O)O)C(=O)N1CCC(CN(C)C)CC1.
What is the InChIKey of 2-[[4-[(dimethylamino)methyl]piperidine-1-carbonyl]-ethylamino]acetic acid?
The InChIKey is VQMCDFBRJXHQRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O3/c1-4-15(10-12(17)18)13(19)16-7-5-11(6-8-16)9-14(2)3/h11H,4-10H2,1-3H3,(H,17,18).
What are the key properties of 2-[[4-[(dimethylamino)methyl]piperidine-1-carbonyl]-ethylamino]acetic acid?
2-[[4-[(dimethylamino)methyl]piperidine-1-carbonyl]-ethylamino]acetic acid has a molecular weight of 271.36 g/mol, XLogP of 0.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(dimethylamino)methyl]piperidine-1-carbonyl]-ethylamino]acetic acid is sourced from PubChem (CID 54986151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).