(2R)-5-amino-2-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]amino]-5-oxopentanoic acid

C13H21N3O5 — CID 107831161

IUPAC(2R)-5-amino-2-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]amino]-5-oxopentanoic acid
SMILESCOCC1=CCN(C(=O)N[C@H](CCC(N)=O)C(=O)O)CC1
InChIInChI=1S/C13H21N3O5/c1-21-8-9-4-6-16(7-5-9)13(20)15-10(12(18)19)2-3-11(14)17/h4,10H,2-3,5-8H2,1H3,(H2,14,17)(H,15,20)(H,18,19)/t10-/m1/s1
InChIKeyDQBDFINTBKAXND-SNVBAGLBSA-N
MW299.33 g/mol
LogP-0.31
Rot. Bonds7

About (2R)-5-amino-2-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]amino]-5-oxopentanoic acid

(2R)-5-amino-2-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]amino]-5-oxopentanoic acid (PubChem CID 107831161) has the molecular formula C13H21N3O5 and a molecular weight of 299.33 g/mol. Its IUPAC name is (2R)-5-amino-2-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name(2R)-5-amino-2-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]amino]-5-oxopentanoic acid
PubChem CID107831161
Molecular FormulaC13H21N3O5
Molecular Weight299.33 g/mol
Exact Mass299.15
IUPAC Name(2R)-5-amino-2-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]amino]-5-oxopentanoic acid
SMILESCOCC1=CCN(C(=O)N[C@H](CCC(N)=O)C(=O)O)CC1
InChIInChI=1S/C13H21N3O5/c1-21-8-9-4-6-16(7-5-9)13(20)15-10(12(18)19)2-3-11(14)17/h4,10H,2-3,5-8H2,1H3,(H2,14,17)(H,15,20)(H,18,19)/t10-/m1/s1
InChIKeyDQBDFINTBKAXND-SNVBAGLBSA-N
XLogP-0.31
TPSA121.96 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 5-0.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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 (2R)-5-amino-2-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]amino]-5-oxopentanoic acid?
The IUPAC name of (2R)-5-amino-2-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]amino]-5-oxopentanoic acid (CID 107831161) is (2R)-5-amino-2-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]amino]-5-oxopentanoic acid.
What is the SMILES notation for (2R)-5-amino-2-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]amino]-5-oxopentanoic acid?
The canonical SMILES for (2R)-5-amino-2-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]amino]-5-oxopentanoic acid is COCC1=CCN(C(=O)N[C@H](CCC(N)=O)C(=O)O)CC1.
What is the InChIKey of (2R)-5-amino-2-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]amino]-5-oxopentanoic acid?
The InChIKey is DQBDFINTBKAXND-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H21N3O5/c1-21-8-9-4-6-16(7-5-9)13(20)15-10(12(18)19)2-3-11(14)17/h4,10H,2-3,5-8H2,1H3,(H2,14,17)(H,15,20)(H,18,19)/t10-/m1/s1.
What are the key properties of (2R)-5-amino-2-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]amino]-5-oxopentanoic acid?
(2R)-5-amino-2-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]amino]-5-oxopentanoic acid has a molecular weight of 299.33 g/mol, XLogP of -0.31, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-amino-2-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]amino]-5-oxopentanoic acid is sourced from PubChem (CID 107831161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).