2-[[1-(cyclopropanecarbonyl)piperidine-4-carbonyl]-methylamino]acetic acid

C13H20N2O4 — CID 43356245

IUPAC2-[[1-(cyclopropanecarbonyl)piperidine-4-carbonyl]-methylamino]acetic acid
SMILESCN(CC(=O)O)C(=O)C1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C13H20N2O4/c1-14(8-11(16)17)12(18)10-4-6-15(7-5-10)13(19)9-2-3-9/h9-10H,2-8H2,1H3,(H,16,17)
InChIKeyHLFUWOKLSVRUBR-UHFFFAOYSA-N
MW268.31 g/mol
LogP0.18
Rot. Bonds4

About 2-[[1-(cyclopropanecarbonyl)piperidine-4-carbonyl]-methylamino]acetic acid

2-[[1-(cyclopropanecarbonyl)piperidine-4-carbonyl]-methylamino]acetic acid (PubChem CID 43356245) has the molecular formula C13H20N2O4 and a molecular weight of 268.31 g/mol. Its IUPAC name is 2-[[1-(cyclopropanecarbonyl)piperidine-4-carbonyl]-methylamino]acetic acid.

Molecular Properties

Compound Name2-[[1-(cyclopropanecarbonyl)piperidine-4-carbonyl]-methylamino]acetic acid
PubChem CID43356245
Molecular FormulaC13H20N2O4
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Name2-[[1-(cyclopropanecarbonyl)piperidine-4-carbonyl]-methylamino]acetic acid
SMILESCN(CC(=O)O)C(=O)C1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C13H20N2O4/c1-14(8-11(16)17)12(18)10-4-6-15(7-5-10)13(19)9-2-3-9/h9-10H,2-8H2,1H3,(H,16,17)
InChIKeyHLFUWOKLSVRUBR-UHFFFAOYSA-N
XLogP0.18
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[methyl-[1-(pyrrolidine-1-carbonyl)piperidine-4-carbonyl]amino]acetic acid
CID 119136399
2-[[1-(cyclopropanecarbonyl)piperidine-4-carbonyl]-cyclopropylamino]acetic acid
CID 60826561
N-butyl-1-(cyclopentanecarbonyl)-N-methylpiperidine-4-carboxamide
CID 87022999
1-(cyclopropanecarbonyl)-N,N-dipropylpiperidine-4-carboxamide
CID 113005873
1-(cyclopropanecarbonyl)-N-(1-hydroxypropan-2-yl)-N-methylpiperidine-4-carboxamide
CID 112548091
cyclopropyl-[4-(dimethylamino)piperidin-1-yl]methanone
CID 60763903
2-[cyclobutyl-[1-(dimethylcarbamoyl)piperidine-4-carbonyl]amino]acetic acid
CID 138005412
2-[methyl(oxane-4-carbonyl)amino]acetic acid
CID 28778128
4-[2-hydroxyethyl(methyl)carbamoyl]piperidine-1-carboxylic acid
CID 175395541
2-[methyl-(1-pyrazin-2-ylpiperidine-4-carbonyl)amino]acetic acid
CID 119346169
2-[(1-butylsulfonylpiperidine-4-carbonyl)-methylamino]acetic acid
CID 119171791
ethyl 2-[(1-acetylpiperidine-4-carbonyl)-methylamino]acetate
CID 55003374

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(cyclopropanecarbonyl)piperidine-4-carbonyl]-methylamino]acetic acid?
The IUPAC name of 2-[[1-(cyclopropanecarbonyl)piperidine-4-carbonyl]-methylamino]acetic acid (CID 43356245) is 2-[[1-(cyclopropanecarbonyl)piperidine-4-carbonyl]-methylamino]acetic acid.
What is the SMILES notation for 2-[[1-(cyclopropanecarbonyl)piperidine-4-carbonyl]-methylamino]acetic acid?
The canonical SMILES for 2-[[1-(cyclopropanecarbonyl)piperidine-4-carbonyl]-methylamino]acetic acid is CN(CC(=O)O)C(=O)C1CCN(C(=O)C2CC2)CC1.
What is the InChIKey of 2-[[1-(cyclopropanecarbonyl)piperidine-4-carbonyl]-methylamino]acetic acid?
The InChIKey is HLFUWOKLSVRUBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4/c1-14(8-11(16)17)12(18)10-4-6-15(7-5-10)13(19)9-2-3-9/h9-10H,2-8H2,1H3,(H,16,17).
What are the key properties of 2-[[1-(cyclopropanecarbonyl)piperidine-4-carbonyl]-methylamino]acetic acid?
2-[[1-(cyclopropanecarbonyl)piperidine-4-carbonyl]-methylamino]acetic acid has a molecular weight of 268.31 g/mol, XLogP of 0.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(cyclopropanecarbonyl)piperidine-4-carbonyl]-methylamino]acetic acid is sourced from PubChem (CID 43356245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).