2-[2-[4-[(2-amino-2-oxoethyl)amino]piperidin-1-yl]phenyl]acetic acid

C15H21N3O3 — CID 22615450

IUPAC2-[2-[4-[(2-amino-2-oxoethyl)amino]piperidin-1-yl]phenyl]acetic acid
SMILESNC(=O)CNC1CCN(c2ccccc2CC(=O)O)CC1
InChIInChI=1S/C15H21N3O3/c16-14(19)10-17-12-5-7-18(8-6-12)13-4-2-1-3-11(13)9-15(20)21/h1-4,12,17H,5-10H2,(H2,16,19)(H,20,21)
InChIKeyPHDJIZVZTLBBGY-UHFFFAOYSA-N
MW291.35 g/mol
LogP0.36
Rot. Bonds6

About 2-[2-[4-[(2-amino-2-oxoethyl)amino]piperidin-1-yl]phenyl]acetic acid

2-[2-[4-[(2-amino-2-oxoethyl)amino]piperidin-1-yl]phenyl]acetic acid (PubChem CID 22615450) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 2-[2-[4-[(2-amino-2-oxoethyl)amino]piperidin-1-yl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-[4-[(2-amino-2-oxoethyl)amino]piperidin-1-yl]phenyl]acetic acid
PubChem CID22615450
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name2-[2-[4-[(2-amino-2-oxoethyl)amino]piperidin-1-yl]phenyl]acetic acid
SMILESNC(=O)CNC1CCN(c2ccccc2CC(=O)O)CC1
InChIInChI=1S/C15H21N3O3/c16-14(19)10-17-12-5-7-18(8-6-12)13-4-2-1-3-11(13)9-15(20)21/h1-4,12,17H,5-10H2,(H2,16,19)(H,20,21)
InChIKeyPHDJIZVZTLBBGY-UHFFFAOYSA-N
XLogP0.36
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 50.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[2-[4-[(2-amino-2-oxoethyl)amino]piperidin-1-yl]phenyl]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-[4-(2-aminoethylamino)piperidin-1-yl]phenyl]acetic acid
CID 70170914
2-[[1-(2-bromophenyl)pyrrolidin-3-yl]amino]acetic acid
CID 117004212
N-ethyl-1-(2-propylphenyl)piperidin-4-amine
CID 54963841
4-[(2-amino-2-oxoethyl)amino]piperidine-1-carboxamide
CID 43754739
3-[[1-(2-cyanophenyl)piperidin-4-yl]amino]propanoic acid
CID 56777931
1-[2-[(cyclopropylamino)methyl]phenyl]piperidine-3-carboxamide
CID 43280219
tert-butyl N-[1-[2-(aminomethyl)phenyl]piperidin-4-yl]carbamate
CID 67417632
methyl 4-[(2-amino-2-oxoethyl)amino]-1-phenylcyclohexane-1-carboxylate
CID 18789777
3-[(2-pyrrolidin-1-ylphenyl)methylamino]propanamide
CID 43777430
2-[[1-(2-methoxyphenyl)piperidin-4-yl]amino]ethylcarbamic acid
CID 22615426
[1-(2-ethylphenyl)piperidin-4-yl]-pyrrol-1-ylcarbamic acid
CID 70414337
2-[4-[(2-aminophenyl)methylamino]piperidin-1-yl]acetamide
CID 66416889

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-[(2-amino-2-oxoethyl)amino]piperidin-1-yl]phenyl]acetic acid?
The IUPAC name of 2-[2-[4-[(2-amino-2-oxoethyl)amino]piperidin-1-yl]phenyl]acetic acid (CID 22615450) is 2-[2-[4-[(2-amino-2-oxoethyl)amino]piperidin-1-yl]phenyl]acetic acid.
What is the SMILES notation for 2-[2-[4-[(2-amino-2-oxoethyl)amino]piperidin-1-yl]phenyl]acetic acid?
The canonical SMILES for 2-[2-[4-[(2-amino-2-oxoethyl)amino]piperidin-1-yl]phenyl]acetic acid is NC(=O)CNC1CCN(c2ccccc2CC(=O)O)CC1.
What is the InChIKey of 2-[2-[4-[(2-amino-2-oxoethyl)amino]piperidin-1-yl]phenyl]acetic acid?
The InChIKey is PHDJIZVZTLBBGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c16-14(19)10-17-12-5-7-18(8-6-12)13-4-2-1-3-11(13)9-15(20)21/h1-4,12,17H,5-10H2,(H2,16,19)(H,20,21).
What are the key properties of 2-[2-[4-[(2-amino-2-oxoethyl)amino]piperidin-1-yl]phenyl]acetic acid?
2-[2-[4-[(2-amino-2-oxoethyl)amino]piperidin-1-yl]phenyl]acetic acid has a molecular weight of 291.35 g/mol, XLogP of 0.36, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-[(2-amino-2-oxoethyl)amino]piperidin-1-yl]phenyl]acetic acid is sourced from PubChem (CID 22615450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).