3-cyclopropyl-3-[(3-methoxy-3-methylpiperidine-1-carbonyl)amino]propanoic acid

C14H24N2O4 — CID 107393967

IUPAC3-cyclopropyl-3-[(3-methoxy-3-methylpiperidine-1-carbonyl)amino]propanoic acid
SMILESCOC1(C)CCCN(C(=O)NC(CC(=O)O)C2CC2)C1
InChIInChI=1S/C14H24N2O4/c1-14(20-2)6-3-7-16(9-14)13(19)15-11(8-12(17)18)10-4-5-10/h10-11H,3-9H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyCYCHRCXDJCKBLQ-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.45
Rot. Bonds5

About 3-cyclopropyl-3-[(3-methoxy-3-methylpiperidine-1-carbonyl)amino]propanoic acid

3-cyclopropyl-3-[(3-methoxy-3-methylpiperidine-1-carbonyl)amino]propanoic acid (PubChem CID 107393967) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is 3-cyclopropyl-3-[(3-methoxy-3-methylpiperidine-1-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name3-cyclopropyl-3-[(3-methoxy-3-methylpiperidine-1-carbonyl)amino]propanoic acid
PubChem CID107393967
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Name3-cyclopropyl-3-[(3-methoxy-3-methylpiperidine-1-carbonyl)amino]propanoic acid
SMILESCOC1(C)CCCN(C(=O)NC(CC(=O)O)C2CC2)C1
InChIInChI=1S/C14H24N2O4/c1-14(20-2)6-3-7-16(9-14)13(19)15-11(8-12(17)18)10-4-5-10/h10-11H,3-9H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyCYCHRCXDJCKBLQ-UHFFFAOYSA-N
XLogP1.45
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-cyclopropyl-3-[(3-methoxy-3-methylpiperidine-1-carbonyl)amino]propanoic acid with MolForge

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Related Compounds

(2S)-4-methoxy-2-[(3-methoxy-3-methylpiperidine-1-carbonyl)amino]-4-oxobutanoic acid
CID 107393891
2-ethyl-2-[[(3-methoxy-3-methylpiperidine-1-carbonyl)amino]methyl]butanoic acid
CID 107393953
3-methoxy-3-methylpiperidine-1-carbohydrazide
CID 107394148
1-[[(3-methoxy-3-methylpiperidine-1-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 107394038
3-hydroxy-4-[(3-methoxy-3-methylpiperidine-1-carbonyl)amino]-3-methylbutanoic acid
CID 107393998
1-[(3-methoxy-3-methylpiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 107393937
2-hydroxy-4-[(3-methoxy-3-methylpiperidine-1-carbonyl)amino]butanoic acid
CID 107841554
2-[cyclopentyl-(3-methoxy-3-methylpiperidine-1-carbonyl)amino]acetic acid
CID 107393934
3-[(3-methoxy-3-methylpiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 107393973
5-[(3-methoxy-3-methylpiperidine-1-carbonyl)amino]-2-methylpentanoic acid
CID 107393924
2-[cyclopropylmethyl-(3-methoxy-3-methylpiperidine-1-carbonyl)amino]acetic acid
CID 107393992
3-cyclopropyl-3-[(4-propylpiperidine-1-carbonyl)amino]propanoic acid
CID 82002788

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-3-[(3-methoxy-3-methylpiperidine-1-carbonyl)amino]propanoic acid?
The IUPAC name of 3-cyclopropyl-3-[(3-methoxy-3-methylpiperidine-1-carbonyl)amino]propanoic acid (CID 107393967) is 3-cyclopropyl-3-[(3-methoxy-3-methylpiperidine-1-carbonyl)amino]propanoic acid.
What is the SMILES notation for 3-cyclopropyl-3-[(3-methoxy-3-methylpiperidine-1-carbonyl)amino]propanoic acid?
The canonical SMILES for 3-cyclopropyl-3-[(3-methoxy-3-methylpiperidine-1-carbonyl)amino]propanoic acid is COC1(C)CCCN(C(=O)NC(CC(=O)O)C2CC2)C1.
What is the InChIKey of 3-cyclopropyl-3-[(3-methoxy-3-methylpiperidine-1-carbonyl)amino]propanoic acid?
The InChIKey is CYCHRCXDJCKBLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-14(20-2)6-3-7-16(9-14)13(19)15-11(8-12(17)18)10-4-5-10/h10-11H,3-9H2,1-2H3,(H,15,19)(H,17,18).
What are the key properties of 3-cyclopropyl-3-[(3-methoxy-3-methylpiperidine-1-carbonyl)amino]propanoic acid?
3-cyclopropyl-3-[(3-methoxy-3-methylpiperidine-1-carbonyl)amino]propanoic acid has a molecular weight of 284.36 g/mol, XLogP of 1.45, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-3-[(3-methoxy-3-methylpiperidine-1-carbonyl)amino]propanoic acid is sourced from PubChem (CID 107393967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).