cis-(1R,3S)-3-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]amino]cyclopentane-1-carboxylic acid

About cis-(1R,3S)-3-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]amino]cyclopentane-1-carboxylic acid

cis-(1R,3S)-3-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 106320185) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is cis-(1R,3S)-3-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name	cis-(1R,3S)-3-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]amino]cyclopentane-1-carboxylic acid
PubChem CID	106320185
Molecular Formula	C14H22N2O4
Molecular Weight	282.34 g/mol
Exact Mass	282.16
IUPAC Name	cis-(1R,3S)-3-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]amino]cyclopentane-1-carboxylic acid
SMILES	COCC1=CCN(C(=O)N[C@H]2CC[C@@H](C(=O)O)C2)CC1
InChI	InChI=1S/C14H22N2O4/c1-20-9-10-4-6-16(7-5-10)14(19)15-12-3-2-11(8-12)13(17)18/h4,11-12H,2-3,5-9H2,1H3,(H,15,19)(H,17,18)/t11-,12+/m1/s1
InChIKey	UHBPMFVJBDRKAE-NEPJUHHUSA-N
XLogP	1.23
TPSA	78.87 Å²
H-Bond Donors	2
H-Bond Acceptors	3
Rotatable Bonds	4
Heavy Atoms	20
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	282.34
LogP ≤ 5	1.23
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]amino]cyclopentane-1-carboxylic acid?

The IUPAC name of cis-(1R,3S)-3-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]amino]cyclopentane-1-carboxylic acid (CID 106320185) is cis-(1R,3S)-3-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]amino]cyclopentane-1-carboxylic acid.

What is the SMILES notation for cis-(1R,3S)-3-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]amino]cyclopentane-1-carboxylic acid?

The canonical SMILES for cis-(1R,3S)-3-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]amino]cyclopentane-1-carboxylic acid is COCC1=CCN(C(=O)N[C@H]2CC[C@@H](C(=O)O)C2)CC1.

What is the InChIKey of cis-(1R,3S)-3-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]amino]cyclopentane-1-carboxylic acid?

The InChIKey is UHBPMFVJBDRKAE-NEPJUHHUSA-N. The full InChI is InChI=1S/C14H22N2O4/c1-20-9-10-4-6-16(7-5-10)14(19)15-12-3-2-11(8-12)13(17)18/h4,11-12H,2-3,5-9H2,1H3,(H,15,19)(H,17,18)/t11-,12+/m1/s1.

What are the key properties of cis-(1R,3S)-3-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]amino]cyclopentane-1-carboxylic acid?

cis-(1R,3S)-3-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 282.34 g/mol, XLogP of 1.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for cis-(1R,3S)-3-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 106320185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).