3-[(3-ethylpiperidine-3-carbonyl)amino]propanoic acid

C11H20N2O3 — CID 63131870

IUPAC3-[(3-ethylpiperidine-3-carbonyl)amino]propanoic acid
SMILESCCC1(C(=O)NCCC(=O)O)CCCNC1
InChIInChI=1S/C11H20N2O3/c1-2-11(5-3-6-12-8-11)10(16)13-7-4-9(14)15/h12H,2-8H2,1H3,(H,13,16)(H,14,15)
InChIKeyFZWIFRLSMBSNKD-UHFFFAOYSA-N
MW228.29 g/mol
LogP0.36
Rot. Bonds5

About 3-[(3-ethylpiperidine-3-carbonyl)amino]propanoic acid

3-[(3-ethylpiperidine-3-carbonyl)amino]propanoic acid (PubChem CID 63131870) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 3-[(3-ethylpiperidine-3-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[(3-ethylpiperidine-3-carbonyl)amino]propanoic acid
PubChem CID63131870
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name3-[(3-ethylpiperidine-3-carbonyl)amino]propanoic acid
SMILESCCC1(C(=O)NCCC(=O)O)CCCNC1
InChIInChI=1S/C11H20N2O3/c1-2-11(5-3-6-12-8-11)10(16)13-7-4-9(14)15/h12H,2-8H2,1H3,(H,13,16)(H,14,15)
InChIKeyFZWIFRLSMBSNKD-UHFFFAOYSA-N
XLogP0.36
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-amino-3-oxopropyl)-3-ethylpiperidine-3-carboxamide
CID 63130061
N-(2-acetamidoethyl)-3-ethylpiperidine-3-carboxamide
CID 63130017
3-ethyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)piperidine-3-carboxamide
CID 63135374
4-[(3-propylpiperidine-3-carbonyl)amino]butanoic acid
CID 63132002
3-ethyl-N-(2-methylsulfonylethyl)piperidine-3-carboxamide
CID 63131031
ethyl 4-[(3-ethylpiperidine-3-carbonyl)amino]butanoate
CID 64575035
N-(cyclopropylmethyl)-3-ethylpiperidine-3-carboxamide
CID 63132114
(2S)-2-[(3-ethylpiperidine-3-carbonyl)amino]pentanedioic acid
CID 63131411
methyl 3-[(3-ethylpyrrolidine-3-carbonyl)amino]propanoate
CID 63141454
3-ethyl-N-[2-(methylamino)-2-oxoethyl]piperidine-3-carboxamide
CID 63130528
3-ethyl-N-[2-(4-fluorophenyl)ethyl]piperidine-3-carboxamide
CID 63132469
N-[2-(2-amino-2-oxoethoxy)ethyl]-3-ethylpiperidine-3-carboxamide
CID 106236645

Frequently Asked Questions

What is the IUPAC name of 3-[(3-ethylpiperidine-3-carbonyl)amino]propanoic acid?
The IUPAC name of 3-[(3-ethylpiperidine-3-carbonyl)amino]propanoic acid (CID 63131870) is 3-[(3-ethylpiperidine-3-carbonyl)amino]propanoic acid.
What is the SMILES notation for 3-[(3-ethylpiperidine-3-carbonyl)amino]propanoic acid?
The canonical SMILES for 3-[(3-ethylpiperidine-3-carbonyl)amino]propanoic acid is CCC1(C(=O)NCCC(=O)O)CCCNC1.
What is the InChIKey of 3-[(3-ethylpiperidine-3-carbonyl)amino]propanoic acid?
The InChIKey is FZWIFRLSMBSNKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-2-11(5-3-6-12-8-11)10(16)13-7-4-9(14)15/h12H,2-8H2,1H3,(H,13,16)(H,14,15).
What are the key properties of 3-[(3-ethylpiperidine-3-carbonyl)amino]propanoic acid?
3-[(3-ethylpiperidine-3-carbonyl)amino]propanoic acid has a molecular weight of 228.29 g/mol, XLogP of 0.36, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-ethylpiperidine-3-carbonyl)amino]propanoic acid is sourced from PubChem (CID 63131870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).