2-[cyclopropyl-[1-(2-methylpropanoyl)piperidine-4-carbonyl]amino]propanoic acid

C16H26N2O4 — CID 119203133

IUPAC2-[cyclopropyl-[1-(2-methylpropanoyl)piperidine-4-carbonyl]amino]propanoic acid
SMILESCC(C)C(=O)N1CCC(C(=O)N(C2CC2)C(C)C(=O)O)CC1
InChIInChI=1S/C16H26N2O4/c1-10(2)14(19)17-8-6-12(7-9-17)15(20)18(13-4-5-13)11(3)16(21)22/h10-13H,4-9H2,1-3H3,(H,21,22)
InChIKeyMWJFNMCWPBIUCJ-UHFFFAOYSA-N
MW310.39 g/mol
LogP1.35
Rot. Bonds5

About 2-[cyclopropyl-[1-(2-methylpropanoyl)piperidine-4-carbonyl]amino]propanoic acid

2-[cyclopropyl-[1-(2-methylpropanoyl)piperidine-4-carbonyl]amino]propanoic acid (PubChem CID 119203133) has the molecular formula C16H26N2O4 and a molecular weight of 310.39 g/mol. Its IUPAC name is 2-[cyclopropyl-[1-(2-methylpropanoyl)piperidine-4-carbonyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[cyclopropyl-[1-(2-methylpropanoyl)piperidine-4-carbonyl]amino]propanoic acid
PubChem CID119203133
Molecular FormulaC16H26N2O4
Molecular Weight310.39 g/mol
Exact Mass310.19
IUPAC Name2-[cyclopropyl-[1-(2-methylpropanoyl)piperidine-4-carbonyl]amino]propanoic acid
SMILESCC(C)C(=O)N1CCC(C(=O)N(C2CC2)C(C)C(=O)O)CC1
InChIInChI=1S/C16H26N2O4/c1-10(2)14(19)17-8-6-12(7-9-17)15(20)18(13-4-5-13)11(3)16(21)22/h10-13H,4-9H2,1-3H3,(H,21,22)
InChIKeyMWJFNMCWPBIUCJ-UHFFFAOYSA-N
XLogP1.35
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-bis(2-hydroxyethyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 61235088
N-ethyl-1-(2-methylpropanoyl)-N-phenylpiperidine-4-carboxamide
CID 113006682
2-[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]-methylamino]propanoic acid
CID 62627270
3-[ethyl-[1-(2-methylpropanoyl)piperidine-4-carbonyl]amino]propanoic acid
CID 61006656
3-[[1-(2-methylpropanoyl)piperidine-4-carbonyl]-(2-methylpropyl)amino]propanoic acid
CID 119190523
N-ethyl-N-(3-hydroxypropyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 115771580
methane;2-methyl-1-(4-methylpiperidin-1-yl)propan-1-one
CID 143298111
N-(1,1-dioxothiolan-3-yl)-N-ethyl-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 113005081
2-[cyclopropyl-[1-(phenylcarbamoyl)piperidine-3-carbonyl]amino]propanoic acid
CID 119202408
2-methyl-1-[4-[1-(2-methylpropanoyl)piperidin-4-yl]oxypiperidin-1-yl]propan-1-one
CID 165116537
N-cyclopropyl-N-propan-2-ylcyclopentanecarboxamide
CID 110872851
1-(azocan-1-yl)-2-methylpropan-1-one
CID 17164385

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[1-(2-methylpropanoyl)piperidine-4-carbonyl]amino]propanoic acid?
The IUPAC name of 2-[cyclopropyl-[1-(2-methylpropanoyl)piperidine-4-carbonyl]amino]propanoic acid (CID 119203133) is 2-[cyclopropyl-[1-(2-methylpropanoyl)piperidine-4-carbonyl]amino]propanoic acid.
What is the SMILES notation for 2-[cyclopropyl-[1-(2-methylpropanoyl)piperidine-4-carbonyl]amino]propanoic acid?
The canonical SMILES for 2-[cyclopropyl-[1-(2-methylpropanoyl)piperidine-4-carbonyl]amino]propanoic acid is CC(C)C(=O)N1CCC(C(=O)N(C2CC2)C(C)C(=O)O)CC1.
What is the InChIKey of 2-[cyclopropyl-[1-(2-methylpropanoyl)piperidine-4-carbonyl]amino]propanoic acid?
The InChIKey is MWJFNMCWPBIUCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O4/c1-10(2)14(19)17-8-6-12(7-9-17)15(20)18(13-4-5-13)11(3)16(21)22/h10-13H,4-9H2,1-3H3,(H,21,22).
What are the key properties of 2-[cyclopropyl-[1-(2-methylpropanoyl)piperidine-4-carbonyl]amino]propanoic acid?
2-[cyclopropyl-[1-(2-methylpropanoyl)piperidine-4-carbonyl]amino]propanoic acid has a molecular weight of 310.39 g/mol, XLogP of 1.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[1-(2-methylpropanoyl)piperidine-4-carbonyl]amino]propanoic acid is sourced from PubChem (CID 119203133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).