2-[(3-ethylpiperidine-1-carbonyl)-(2-methylpropyl)amino]acetic acid

C14H26N2O3 — CID 63064381

IUPAC2-[(3-ethylpiperidine-1-carbonyl)-(2-methylpropyl)amino]acetic acid
SMILESCCC1CCCN(C(=O)N(CC(=O)O)CC(C)C)C1
InChIInChI=1S/C14H26N2O3/c1-4-12-6-5-7-15(9-12)14(19)16(8-11(2)3)10-13(17)18/h11-12H,4-10H2,1-3H3,(H,17,18)
InChIKeyUQKGJJPQABUFAV-UHFFFAOYSA-N
MW270.37 g/mol
LogP2.27
Rot. Bonds5

About 2-[(3-ethylpiperidine-1-carbonyl)-(2-methylpropyl)amino]acetic acid

2-[(3-ethylpiperidine-1-carbonyl)-(2-methylpropyl)amino]acetic acid (PubChem CID 63064381) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 2-[(3-ethylpiperidine-1-carbonyl)-(2-methylpropyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(3-ethylpiperidine-1-carbonyl)-(2-methylpropyl)amino]acetic acid
PubChem CID63064381
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name2-[(3-ethylpiperidine-1-carbonyl)-(2-methylpropyl)amino]acetic acid
SMILESCCC1CCCN(C(=O)N(CC(=O)O)CC(C)C)C1
InChIInChI=1S/C14H26N2O3/c1-4-12-6-5-7-15(9-12)14(19)16(8-11(2)3)10-13(17)18/h11-12H,4-10H2,1-3H3,(H,17,18)
InChIKeyUQKGJJPQABUFAV-UHFFFAOYSA-N
XLogP2.27
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3-carbamoylpiperidine-1-carbonyl)-(2-methylpropyl)amino]acetic acid
CID 63066843
2-[2-methylpropyl-(3-methylpyrrolidine-1-carbonyl)amino]acetic acid
CID 63064206
2-[cyclopentyl-(3-ethylpiperidine-1-carbonyl)amino]acetic acid
CID 61200673
2-[[3-(dimethylamino)pyrrolidine-1-carbonyl]-(2-methylpropyl)amino]acetic acid
CID 63548304
2-[carboxymethyl-[3-(2-hydroxyethyl)piperidine-1-carbonyl]amino]acetic acid
CID 107228199
N,3-diethyl-N-methylpiperidine-1-carboxamide
CID 116654344
2-[(4-acetylpiperazine-1-carbonyl)-(2-methylpropyl)amino]acetic acid
CID 63065252
2-[[1-(2-methylbutanoyl)piperidine-3-carbonyl]-(2-methylpropyl)amino]acetic acid
CID 119193357
2-[carboxymethyl-(3-propylpyrrolidine-1-carbonyl)amino]acetic acid
CID 113418333
2-[1-[ethyl(propan-2-yl)carbamoyl]piperidin-3-yl]acetic acid
CID 62689121
N-(2-aminoethyl)-3-ethyl-N-methylpiperidine-1-carboxamide
CID 82508730
2-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl]-(2-methylpropyl)amino]acetic acid
CID 102727473

Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethylpiperidine-1-carbonyl)-(2-methylpropyl)amino]acetic acid?
The IUPAC name of 2-[(3-ethylpiperidine-1-carbonyl)-(2-methylpropyl)amino]acetic acid (CID 63064381) is 2-[(3-ethylpiperidine-1-carbonyl)-(2-methylpropyl)amino]acetic acid.
What is the SMILES notation for 2-[(3-ethylpiperidine-1-carbonyl)-(2-methylpropyl)amino]acetic acid?
The canonical SMILES for 2-[(3-ethylpiperidine-1-carbonyl)-(2-methylpropyl)amino]acetic acid is CCC1CCCN(C(=O)N(CC(=O)O)CC(C)C)C1.
What is the InChIKey of 2-[(3-ethylpiperidine-1-carbonyl)-(2-methylpropyl)amino]acetic acid?
The InChIKey is UQKGJJPQABUFAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-4-12-6-5-7-15(9-12)14(19)16(8-11(2)3)10-13(17)18/h11-12H,4-10H2,1-3H3,(H,17,18).
What are the key properties of 2-[(3-ethylpiperidine-1-carbonyl)-(2-methylpropyl)amino]acetic acid?
2-[(3-ethylpiperidine-1-carbonyl)-(2-methylpropyl)amino]acetic acid has a molecular weight of 270.37 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethylpiperidine-1-carbonyl)-(2-methylpropyl)amino]acetic acid is sourced from PubChem (CID 63064381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).