2-[(2-amino-2-oxoethyl)-(4-tert-butylpiperidine-1-carbonyl)amino]acetic acid

C14H25N3O4 — CID 107438598

IUPAC2-[(2-amino-2-oxoethyl)-(4-tert-butylpiperidine-1-carbonyl)amino]acetic acid
SMILESCC(C)(C)C1CCN(C(=O)N(CC(N)=O)CC(=O)O)CC1
InChIInChI=1S/C14H25N3O4/c1-14(2,3)10-4-6-16(7-5-10)13(21)17(8-11(15)18)9-12(19)20/h10H,4-9H2,1-3H3,(H2,15,18)(H,19,20)
InChIKeyNBIMPLPQFCPEDQ-UHFFFAOYSA-N
MW299.37 g/mol
LogP0.74
Rot. Bonds4

About 2-[(2-amino-2-oxoethyl)-(4-tert-butylpiperidine-1-carbonyl)amino]acetic acid

2-[(2-amino-2-oxoethyl)-(4-tert-butylpiperidine-1-carbonyl)amino]acetic acid (PubChem CID 107438598) has the molecular formula C14H25N3O4 and a molecular weight of 299.37 g/mol. Its IUPAC name is 2-[(2-amino-2-oxoethyl)-(4-tert-butylpiperidine-1-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(2-amino-2-oxoethyl)-(4-tert-butylpiperidine-1-carbonyl)amino]acetic acid
PubChem CID107438598
Molecular FormulaC14H25N3O4
Molecular Weight299.37 g/mol
Exact Mass299.18
IUPAC Name2-[(2-amino-2-oxoethyl)-(4-tert-butylpiperidine-1-carbonyl)amino]acetic acid
SMILESCC(C)(C)C1CCN(C(=O)N(CC(N)=O)CC(=O)O)CC1
InChIInChI=1S/C14H25N3O4/c1-14(2,3)10-4-6-16(7-5-10)13(21)17(8-11(15)18)9-12(19)20/h10H,4-9H2,1-3H3,(H2,15,18)(H,19,20)
InChIKeyNBIMPLPQFCPEDQ-UHFFFAOYSA-N
XLogP0.74
TPSA103.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[(2-amino-2-oxoethyl)-(4-tert-butylpiperidine-1-carbonyl)amino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2-amino-2-oxoethyl)-(4-tert-butylpiperazine-1-carbonyl)amino]acetic acid
CID 107438191
2-[(2-amino-2-oxoethyl)-(4-propan-2-ylpiperazine-1-carbonyl)amino]acetic acid
CID 107438046
2-[(2-amino-2-oxoethyl)-(morpholine-4-carbonyl)amino]acetic acid
CID 107435191
2-[(2-amino-2-oxoethyl)-(3,4-dimethylpyrrolidine-1-carbonyl)amino]acetic acid
CID 107438970
2-[(3-tert-butylpyrrolidine-1-carbonyl)-cyclopropylamino]acetic acid
CID 113418208
2-[(2-amino-2-oxoethyl)-(4-ethyl-4-methylpiperidine-1-carbonyl)amino]acetic acid
CID 107438703
2-[carboxymethyl-(4,4-dimethylpiperidine-1-carbonyl)amino]acetic acid
CID 63645830
2-[ethyl-(4-hydroxypiperidine-1-carbonyl)amino]acetic acid
CID 61190974
2-[tert-butyl-(4-carbamoylpiperidine-1-carbonyl)amino]acetic acid
CID 79256496
N,N-bis(2-amino-2-oxoethyl)-3-methylpiperidine-1-carboxamide
CID 116655745
3-[(4-tert-butylpiperidine-1-carbonyl)-methylamino]-2-methylpropanoic acid
CID 62084014
N,N-diethyl-4-(2-hydroxypropan-2-yl)piperidine-1-carboxamide
CID 20644912

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-2-oxoethyl)-(4-tert-butylpiperidine-1-carbonyl)amino]acetic acid?
The IUPAC name of 2-[(2-amino-2-oxoethyl)-(4-tert-butylpiperidine-1-carbonyl)amino]acetic acid (CID 107438598) is 2-[(2-amino-2-oxoethyl)-(4-tert-butylpiperidine-1-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[(2-amino-2-oxoethyl)-(4-tert-butylpiperidine-1-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[(2-amino-2-oxoethyl)-(4-tert-butylpiperidine-1-carbonyl)amino]acetic acid is CC(C)(C)C1CCN(C(=O)N(CC(N)=O)CC(=O)O)CC1.
What is the InChIKey of 2-[(2-amino-2-oxoethyl)-(4-tert-butylpiperidine-1-carbonyl)amino]acetic acid?
The InChIKey is NBIMPLPQFCPEDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O4/c1-14(2,3)10-4-6-16(7-5-10)13(21)17(8-11(15)18)9-12(19)20/h10H,4-9H2,1-3H3,(H2,15,18)(H,19,20).
What are the key properties of 2-[(2-amino-2-oxoethyl)-(4-tert-butylpiperidine-1-carbonyl)amino]acetic acid?
2-[(2-amino-2-oxoethyl)-(4-tert-butylpiperidine-1-carbonyl)amino]acetic acid has a molecular weight of 299.37 g/mol, XLogP of 0.74, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-2-oxoethyl)-(4-tert-butylpiperidine-1-carbonyl)amino]acetic acid is sourced from PubChem (CID 107438598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).