3-cyclopropyl-3-[(4-propylpiperidine-1-carbonyl)amino]propanoic acid

C15H26N2O3 — CID 82002788

IUPAC3-cyclopropyl-3-[(4-propylpiperidine-1-carbonyl)amino]propanoic acid
SMILESCCCC1CCN(C(=O)NC(CC(=O)O)C2CC2)CC1
InChIInChI=1S/C15H26N2O3/c1-2-3-11-6-8-17(9-7-11)15(20)16-13(10-14(18)19)12-4-5-12/h11-13H,2-10H2,1H3,(H,16,20)(H,18,19)
InChIKeyISWAFIDVDUEINS-UHFFFAOYSA-N
MW282.38 g/mol
LogP2.46
Rot. Bonds6

About 3-cyclopropyl-3-[(4-propylpiperidine-1-carbonyl)amino]propanoic acid

3-cyclopropyl-3-[(4-propylpiperidine-1-carbonyl)amino]propanoic acid (PubChem CID 82002788) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 3-cyclopropyl-3-[(4-propylpiperidine-1-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name3-cyclopropyl-3-[(4-propylpiperidine-1-carbonyl)amino]propanoic acid
PubChem CID82002788
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name3-cyclopropyl-3-[(4-propylpiperidine-1-carbonyl)amino]propanoic acid
SMILESCCCC1CCN(C(=O)NC(CC(=O)O)C2CC2)CC1
InChIInChI=1S/C15H26N2O3/c1-2-3-11-6-8-17(9-7-11)15(20)16-13(10-14(18)19)12-4-5-12/h11-13H,2-10H2,1H3,(H,16,20)(H,18,19)
InChIKeyISWAFIDVDUEINS-UHFFFAOYSA-N
XLogP2.46
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-4-hydroxy-2-[(4-propylpiperidine-1-carbonyl)amino]butanoic acid
CID 107827463
2-ethyl-2-[[(4-propylpiperidine-1-carbonyl)amino]methyl]butanoic acid
CID 115431112
(2R)-2-[(3-propylpyrrolidine-1-carbonyl)amino]pentanoic acid
CID 107567557
4-methyl-4-[(4-propylpiperidine-1-carbonyl)amino]pentanoic acid
CID 62206502
3-amino-4-oxo-4-(4-propylazepan-1-yl)butanoic acid
CID 64895189
3-[[(2S)-2-aminopentanoyl]amino]-3-cyclopropylpropanoic acid
CID 103870481
(2S)-4-hydroxy-2-[(3-propylpyrrolidine-1-carbonyl)amino]butanoic acid
CID 107828904
2-[2-[(4-propylpiperidine-1-carbonyl)amino]ethoxy]acetic acid
CID 79462965
(2S,3R)-3-hydroxy-2-[(3-propylpyrrolidine-1-carbonyl)amino]butanoic acid
CID 104966563
2-cyclopropyl-2-[(4-propylcyclohexyl)amino]acetic acid
CID 65060463
3-cyclopropyl-3-[(3-methoxy-3-methylpiperidine-1-carbonyl)amino]propanoic acid
CID 107393967
3-cyclopropyl-3-[[2-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]amino]propanoic acid
CID 82003478

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-3-[(4-propylpiperidine-1-carbonyl)amino]propanoic acid?
The IUPAC name of 3-cyclopropyl-3-[(4-propylpiperidine-1-carbonyl)amino]propanoic acid (CID 82002788) is 3-cyclopropyl-3-[(4-propylpiperidine-1-carbonyl)amino]propanoic acid.
What is the SMILES notation for 3-cyclopropyl-3-[(4-propylpiperidine-1-carbonyl)amino]propanoic acid?
The canonical SMILES for 3-cyclopropyl-3-[(4-propylpiperidine-1-carbonyl)amino]propanoic acid is CCCC1CCN(C(=O)NC(CC(=O)O)C2CC2)CC1.
What is the InChIKey of 3-cyclopropyl-3-[(4-propylpiperidine-1-carbonyl)amino]propanoic acid?
The InChIKey is ISWAFIDVDUEINS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-2-3-11-6-8-17(9-7-11)15(20)16-13(10-14(18)19)12-4-5-12/h11-13H,2-10H2,1H3,(H,16,20)(H,18,19).
What are the key properties of 3-cyclopropyl-3-[(4-propylpiperidine-1-carbonyl)amino]propanoic acid?
3-cyclopropyl-3-[(4-propylpiperidine-1-carbonyl)amino]propanoic acid has a molecular weight of 282.38 g/mol, XLogP of 2.46, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-3-[(4-propylpiperidine-1-carbonyl)amino]propanoic acid is sourced from PubChem (CID 82002788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).