2-[cyclopropylmethyl-(3-methoxy-3-methylpiperidine-1-carbonyl)amino]acetic acid

C14H24N2O4 — CID 107393992

IUPAC2-[cyclopropylmethyl-(3-methoxy-3-methylpiperidine-1-carbonyl)amino]acetic acid
SMILESCOC1(C)CCCN(C(=O)N(CC(=O)O)CC2CC2)C1
InChIInChI=1S/C14H24N2O4/c1-14(20-2)6-3-7-15(10-14)13(19)16(9-12(17)18)8-11-4-5-11/h11H,3-10H2,1-2H3,(H,17,18)
InChIKeyUITJCPCHHSAWIG-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.40
Rot. Bonds5

About 2-[cyclopropylmethyl-(3-methoxy-3-methylpiperidine-1-carbonyl)amino]acetic acid

2-[cyclopropylmethyl-(3-methoxy-3-methylpiperidine-1-carbonyl)amino]acetic acid (PubChem CID 107393992) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-[cyclopropylmethyl-(3-methoxy-3-methylpiperidine-1-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropylmethyl-(3-methoxy-3-methylpiperidine-1-carbonyl)amino]acetic acid
PubChem CID107393992
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Name2-[cyclopropylmethyl-(3-methoxy-3-methylpiperidine-1-carbonyl)amino]acetic acid
SMILESCOC1(C)CCCN(C(=O)N(CC(=O)O)CC2CC2)C1
InChIInChI=1S/C14H24N2O4/c1-14(20-2)6-3-7-15(10-14)13(19)16(9-12(17)18)8-11-4-5-11/h11H,3-10H2,1-2H3,(H,17,18)
InChIKeyUITJCPCHHSAWIG-UHFFFAOYSA-N
XLogP1.40
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclopentyl-(3-methoxy-3-methylpiperidine-1-carbonyl)amino]acetic acid
CID 107393934
2-[cyclopropylmethyl(piperidine-1-carbonyl)amino]acetic acid
CID 43655845
2-[cyclopropylmethyl-(7,7-dimethyl-1,4-thiazepane-4-carbonyl)amino]acetic acid
CID 107457391
3-(4-aminocyclohexyl)-1-(3-methoxy-3-methylpiperidin-1-yl)propan-1-one
CID 107395786
1-(3-methoxy-3-methylpiperidin-1-yl)-2-pyrrolidin-3-ylethanone
CID 107392439
2-[cyclopropylmethyl-[4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]amino]acetic acid
CID 114412142
3-cyclopropyl-3-[(3-methoxy-3-methylpiperidine-1-carbonyl)amino]propanoic acid
CID 107393967
2-methoxy-1-(3-methoxy-3-methylpiperidin-1-yl)ethanone
CID 107395939
2-[cyclopropylmethyl-[4-(hydroxymethyl)piperidine-1-carbonyl]amino]acetic acid
CID 43656071
2-[cyclopropylmethyl-(1,1-dioxo-1,4-thiazinane-4-carbonyl)amino]acetic acid
CID 43656162
2-[carboxymethyl-(4,4-dimethylpiperidine-1-carbonyl)amino]acetic acid
CID 63645830
1-(3-methoxy-3-methylpiperidin-1-yl)-3-piperidin-4-ylpropan-1-one
CID 107392526

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl-(3-methoxy-3-methylpiperidine-1-carbonyl)amino]acetic acid?
The IUPAC name of 2-[cyclopropylmethyl-(3-methoxy-3-methylpiperidine-1-carbonyl)amino]acetic acid (CID 107393992) is 2-[cyclopropylmethyl-(3-methoxy-3-methylpiperidine-1-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[cyclopropylmethyl-(3-methoxy-3-methylpiperidine-1-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[cyclopropylmethyl-(3-methoxy-3-methylpiperidine-1-carbonyl)amino]acetic acid is COC1(C)CCCN(C(=O)N(CC(=O)O)CC2CC2)C1.
What is the InChIKey of 2-[cyclopropylmethyl-(3-methoxy-3-methylpiperidine-1-carbonyl)amino]acetic acid?
The InChIKey is UITJCPCHHSAWIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-14(20-2)6-3-7-15(10-14)13(19)16(9-12(17)18)8-11-4-5-11/h11H,3-10H2,1-2H3,(H,17,18).
What are the key properties of 2-[cyclopropylmethyl-(3-methoxy-3-methylpiperidine-1-carbonyl)amino]acetic acid?
2-[cyclopropylmethyl-(3-methoxy-3-methylpiperidine-1-carbonyl)amino]acetic acid has a molecular weight of 284.36 g/mol, XLogP of 1.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl-(3-methoxy-3-methylpiperidine-1-carbonyl)amino]acetic acid is sourced from PubChem (CID 107393992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).