2-[(1-piperidin-4-ylpyrrolidine-2-carbonyl)amino]acetic acid

C12H21N3O3 — CID 61158377

IUPAC2-[(1-piperidin-4-ylpyrrolidine-2-carbonyl)amino]acetic acid
SMILESO=C(O)CNC(=O)C1CCCN1C1CCNCC1
InChIInChI=1S/C12H21N3O3/c16-11(17)8-14-12(18)10-2-1-7-15(10)9-3-5-13-6-4-9/h9-10,13H,1-8H2,(H,14,18)(H,16,17)
InChIKeyYNXVGODUZUYPAS-UHFFFAOYSA-N
MW255.32 g/mol
LogP-0.60
Rot. Bonds4

About 2-[(1-piperidin-4-ylpyrrolidine-2-carbonyl)amino]acetic acid

2-[(1-piperidin-4-ylpyrrolidine-2-carbonyl)amino]acetic acid (PubChem CID 61158377) has the molecular formula C12H21N3O3 and a molecular weight of 255.32 g/mol. Its IUPAC name is 2-[(1-piperidin-4-ylpyrrolidine-2-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(1-piperidin-4-ylpyrrolidine-2-carbonyl)amino]acetic acid
PubChem CID61158377
Molecular FormulaC12H21N3O3
Molecular Weight255.32 g/mol
Exact Mass255.16
IUPAC Name2-[(1-piperidin-4-ylpyrrolidine-2-carbonyl)amino]acetic acid
SMILESO=C(O)CNC(=O)C1CCCN1C1CCNCC1
InChIInChI=1S/C12H21N3O3/c16-11(17)8-14-12(18)10-2-1-7-15(10)9-3-5-13-6-4-9/h9-10,13H,1-8H2,(H,14,18)(H,16,17)
InChIKeyYNXVGODUZUYPAS-UHFFFAOYSA-N
XLogP-0.60
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 5-0.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-piperidin-4-yl-N-(2-pyrrolidin-1-ylethyl)pyrrolidine-2-carboxamide
CID 61020009
(2S)-N-methyl-1-piperidin-4-ylpyrrolidine-2-carboxamide
CID 93446902
2-methyl-2-[(1-piperidin-4-ylpyrrolidine-2-carbonyl)amino]propanoic acid
CID 61265351
N-(5-hydroxypentyl)-1-piperidin-4-ylpyrrolidine-2-carboxamide
CID 107317753
N-[(2-methylcyclopentyl)methyl]-1-piperidin-4-ylpyrrolidine-2-carboxamide
CID 107418457
N-(2,2-difluoro-3-hydroxypropyl)-1-piperidin-4-ylpyrrolidine-2-carboxamide
CID 106176774
N-(3-hydroxy-2,2-dimethylpropyl)-1-piperidin-4-ylpyrrolidine-2-carboxamide
CID 115360278
N-(2-ethoxyethyl)-1-piperidin-4-ylpyrrolidine-2-carboxamide
CID 54906386
N-carbamoyl-1-piperidin-4-ylpyrrolidine-2-carboxamide
CID 79195257
N-(2-methyl-3-methylsulfanylpropyl)-1-piperidin-4-ylpyrrolidine-2-carboxamide
CID 63959744
(2S)-2-[(1-piperidin-4-ylpyrrolidine-2-carbonyl)amino]propanoic acid
CID 78967717
N-[2-(oxolan-2-yl)ethyl]-1-piperidin-4-ylpyrrolidine-2-carboxamide
CID 61040212

Frequently Asked Questions

What is the IUPAC name of 2-[(1-piperidin-4-ylpyrrolidine-2-carbonyl)amino]acetic acid?
The IUPAC name of 2-[(1-piperidin-4-ylpyrrolidine-2-carbonyl)amino]acetic acid (CID 61158377) is 2-[(1-piperidin-4-ylpyrrolidine-2-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[(1-piperidin-4-ylpyrrolidine-2-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[(1-piperidin-4-ylpyrrolidine-2-carbonyl)amino]acetic acid is O=C(O)CNC(=O)C1CCCN1C1CCNCC1.
What is the InChIKey of 2-[(1-piperidin-4-ylpyrrolidine-2-carbonyl)amino]acetic acid?
The InChIKey is YNXVGODUZUYPAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3/c16-11(17)8-14-12(18)10-2-1-7-15(10)9-3-5-13-6-4-9/h9-10,13H,1-8H2,(H,14,18)(H,16,17).
What are the key properties of 2-[(1-piperidin-4-ylpyrrolidine-2-carbonyl)amino]acetic acid?
2-[(1-piperidin-4-ylpyrrolidine-2-carbonyl)amino]acetic acid has a molecular weight of 255.32 g/mol, XLogP of -0.60, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-piperidin-4-ylpyrrolidine-2-carbonyl)amino]acetic acid is sourced from PubChem (CID 61158377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).