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

C15H26N2O4 — CID 61006656

IUPAC3-[ethyl-[1-(2-methylpropanoyl)piperidine-4-carbonyl]amino]propanoic acid
SMILESCCN(CCC(=O)O)C(=O)C1CCN(C(=O)C(C)C)CC1
InChIInChI=1S/C15H26N2O4/c1-4-16(10-7-13(18)19)15(21)12-5-8-17(9-6-12)14(20)11(2)3/h11-12H,4-10H2,1-3H3,(H,18,19)
InChIKeyUUNRULACXXMIAF-UHFFFAOYSA-N
MW298.38 g/mol
LogP1.20
Rot. Bonds6

About 3-[ethyl-[1-(2-methylpropanoyl)piperidine-4-carbonyl]amino]propanoic acid

3-[ethyl-[1-(2-methylpropanoyl)piperidine-4-carbonyl]amino]propanoic acid (PubChem CID 61006656) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is 3-[ethyl-[1-(2-methylpropanoyl)piperidine-4-carbonyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[ethyl-[1-(2-methylpropanoyl)piperidine-4-carbonyl]amino]propanoic acid
PubChem CID61006656
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name3-[ethyl-[1-(2-methylpropanoyl)piperidine-4-carbonyl]amino]propanoic acid
SMILESCCN(CCC(=O)O)C(=O)C1CCN(C(=O)C(C)C)CC1
InChIInChI=1S/C15H26N2O4/c1-4-16(10-7-13(18)19)15(21)12-5-8-17(9-6-12)14(20)11(2)3/h11-12H,4-10H2,1-3H3,(H,18,19)
InChIKeyUUNRULACXXMIAF-UHFFFAOYSA-N
XLogP1.20
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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
N,N-bis(2-hydroxyethyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 61235088
N,N-diethyl-1-(2-ethylbutanoyl)piperidine-4-carboxamide
CID 113005259
methyl 3-[(1-acetylpiperidine-4-carbonyl)-ethylamino]propanoate
CID 61011308
3-[(4-tert-butylcyclohexanecarbonyl)-ethylamino]propanoic acid
CID 61007609
3-[ethyl-(3-methylcyclobutanecarbonyl)amino]propanoic acid
CID 115909737
N-ethyl-1-(2-methylpropanoyl)-N-phenylpiperidine-4-carboxamide
CID 113006682
6-[[1-(2-methylpropanoyl)piperidine-4-carbonyl]amino]hexanoic acid
CID 119220092
2-[cyclopropyl-[1-(2-methylpropanoyl)piperidine-4-carbonyl]amino]propanoic acid
CID 119203133
3-[butyl(cyclopropanecarbonyl)amino]propanoic acid
CID 82323933
N-(1,1-dioxothiolan-3-yl)-N-ethyl-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 113005081

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-[1-(2-methylpropanoyl)piperidine-4-carbonyl]amino]propanoic acid?
The IUPAC name of 3-[ethyl-[1-(2-methylpropanoyl)piperidine-4-carbonyl]amino]propanoic acid (CID 61006656) is 3-[ethyl-[1-(2-methylpropanoyl)piperidine-4-carbonyl]amino]propanoic acid.
What is the SMILES notation for 3-[ethyl-[1-(2-methylpropanoyl)piperidine-4-carbonyl]amino]propanoic acid?
The canonical SMILES for 3-[ethyl-[1-(2-methylpropanoyl)piperidine-4-carbonyl]amino]propanoic acid is CCN(CCC(=O)O)C(=O)C1CCN(C(=O)C(C)C)CC1.
What is the InChIKey of 3-[ethyl-[1-(2-methylpropanoyl)piperidine-4-carbonyl]amino]propanoic acid?
The InChIKey is UUNRULACXXMIAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4/c1-4-16(10-7-13(18)19)15(21)12-5-8-17(9-6-12)14(20)11(2)3/h11-12H,4-10H2,1-3H3,(H,18,19).
What are the key properties of 3-[ethyl-[1-(2-methylpropanoyl)piperidine-4-carbonyl]amino]propanoic acid?
3-[ethyl-[1-(2-methylpropanoyl)piperidine-4-carbonyl]amino]propanoic acid has a molecular weight of 298.38 g/mol, XLogP of 1.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-[1-(2-methylpropanoyl)piperidine-4-carbonyl]amino]propanoic acid is sourced from PubChem (CID 61006656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).