2-[cyclopropylmethyl-[4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]amino]acetic acid

C14H22N2O4 — CID 114412142

IUPAC2-[cyclopropylmethyl-[4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]amino]acetic acid
SMILESCOCC1=CCN(C(=O)N(CC(=O)O)CC2CC2)CC1
InChIInChI=1S/C14H22N2O4/c1-20-10-12-4-6-15(7-5-12)14(19)16(9-13(17)18)8-11-2-3-11/h4,11H,2-3,5-10H2,1H3,(H,17,18)
InChIKeyAKSTTWRXESTTJA-UHFFFAOYSA-N
MW282.34 g/mol
LogP1.18
Rot. Bonds6

About 2-[cyclopropylmethyl-[4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]amino]acetic acid

2-[cyclopropylmethyl-[4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]amino]acetic acid (PubChem CID 114412142) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is 2-[cyclopropylmethyl-[4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropylmethyl-[4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]amino]acetic acid
PubChem CID114412142
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC Name2-[cyclopropylmethyl-[4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]amino]acetic acid
SMILESCOCC1=CCN(C(=O)N(CC(=O)O)CC2CC2)CC1
InChIInChI=1S/C14H22N2O4/c1-20-10-12-4-6-15(7-5-12)14(19)16(9-13(17)18)8-11-2-3-11/h4,11H,2-3,5-10H2,1H3,(H,17,18)
InChIKeyAKSTTWRXESTTJA-UHFFFAOYSA-N
XLogP1.18
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl-[4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]amino]acetic acid?
The IUPAC name of 2-[cyclopropylmethyl-[4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]amino]acetic acid (CID 114412142) is 2-[cyclopropylmethyl-[4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropylmethyl-[4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropylmethyl-[4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]amino]acetic acid is COCC1=CCN(C(=O)N(CC(=O)O)CC2CC2)CC1.
What is the InChIKey of 2-[cyclopropylmethyl-[4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]amino]acetic acid?
The InChIKey is AKSTTWRXESTTJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4/c1-20-10-12-4-6-15(7-5-12)14(19)16(9-13(17)18)8-11-2-3-11/h4,11H,2-3,5-10H2,1H3,(H,17,18).
What are the key properties of 2-[cyclopropylmethyl-[4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]amino]acetic acid?
2-[cyclopropylmethyl-[4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]amino]acetic acid has a molecular weight of 282.34 g/mol, XLogP of 1.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl-[4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]amino]acetic acid is sourced from PubChem (CID 114412142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).