3-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]propanoic acid

C13H20N2O4 — CID 43354917

IUPAC3-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]propanoic acid
SMILESO=C(O)CCNC(=O)C1CCCN(C(=O)C2CC2)C1
InChIInChI=1S/C13H20N2O4/c16-11(17)5-6-14-12(18)10-2-1-7-15(8-10)13(19)9-3-4-9/h9-10H,1-8H2,(H,14,18)(H,16,17)
InChIKeyJQATXXNPAXAHHC-UHFFFAOYSA-N
MW268.31 g/mol
LogP0.23
Rot. Bonds5

About 3-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]propanoic acid

3-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]propanoic acid (PubChem CID 43354917) has the molecular formula C13H20N2O4 and a molecular weight of 268.31 g/mol. Its IUPAC name is 3-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]propanoic acid
PubChem CID43354917
Molecular FormulaC13H20N2O4
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Name3-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]propanoic acid
SMILESO=C(O)CCNC(=O)C1CCCN(C(=O)C2CC2)C1
InChIInChI=1S/C13H20N2O4/c16-11(17)5-6-14-12(18)10-2-1-7-15(8-10)13(19)9-3-4-9/h9-10H,1-8H2,(H,14,18)(H,16,17)
InChIKeyJQATXXNPAXAHHC-UHFFFAOYSA-N
XLogP0.23
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]acetic acid
CID 43170581
(2S)-4-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]-2-hydroxybutanoic acid
CID 107833948
4-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]-2-hydroxybutanoic acid
CID 107831751
(3R)-N-[2-[(S)-tert-butylsulfinyl]ethyl]-1-(cyclopropanecarbonyl)piperidine-3-carboxamide
CID 95623392
1-(cyclopropanecarbonyl)-N-(5-hydroxy-4-methylpentyl)piperidine-3-carboxamide
CID 103862358
3-[[(3R)-1-[(E)-3-piperidin-4-ylprop-2-enoyl]piperidine-3-carbonyl]amino]propanoic acid
CID 70092913
3-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]butanoic acid
CID 43172733
1-(cyclopropanecarbonyl)-N-[2-(ethylamino)-2-oxoethyl]piperidine-3-carboxamide
CID 47030909
N-(2-aminoethyl)-1-(cyclopent-3-ene-1-carbonyl)piperidine-3-carboxamide
CID 64766671
2-[1-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]cyclopropyl]acetic acid
CID 167826404
3-[[1-[(2-fluorophenyl)carbamoyl]piperidine-3-carbonyl]amino]propanoic acid
CID 119350889
5-[[1-(2-methylpropanoyl)piperidine-3-carbonyl]amino]pentanoic acid
CID 62033036

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]propanoic acid?
The IUPAC name of 3-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]propanoic acid (CID 43354917) is 3-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]propanoic acid.
What is the SMILES notation for 3-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]propanoic acid?
The canonical SMILES for 3-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]propanoic acid is O=C(O)CCNC(=O)C1CCCN(C(=O)C2CC2)C1.
What is the InChIKey of 3-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]propanoic acid?
The InChIKey is JQATXXNPAXAHHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4/c16-11(17)5-6-14-12(18)10-2-1-7-15(8-10)13(19)9-3-4-9/h9-10H,1-8H2,(H,14,18)(H,16,17).
What are the key properties of 3-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]propanoic acid?
3-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]propanoic acid has a molecular weight of 268.31 g/mol, XLogP of 0.23, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]propanoic acid is sourced from PubChem (CID 43354917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).