(2R)-2-[(3-ethyl-2-morpholin-4-ylpentanoyl)amino]-4-methylpentanoic acid

C17H32N2O4 — CID 119364378

IUPAC(2R)-2-[(3-ethyl-2-morpholin-4-ylpentanoyl)amino]-4-methylpentanoic acid
SMILESCCC(CC)C(C(=O)N[C@H](CC(C)C)C(=O)O)N1CCOCC1
InChIInChI=1S/C17H32N2O4/c1-5-13(6-2)15(19-7-9-23-10-8-19)16(20)18-14(17(21)22)11-12(3)4/h12-15H,5-11H2,1-4H3,(H,18,20)(H,21,22)/t14-,15?/m1/s1
InChIKeyGGTWAKPBAYBBDI-GICMACPYSA-N
MW328.45 g/mol
LogP1.74
Rot. Bonds9

About (2R)-2-[(3-ethyl-2-morpholin-4-ylpentanoyl)amino]-4-methylpentanoic acid

(2R)-2-[(3-ethyl-2-morpholin-4-ylpentanoyl)amino]-4-methylpentanoic acid (PubChem CID 119364378) has the molecular formula C17H32N2O4 and a molecular weight of 328.45 g/mol. Its IUPAC name is (2R)-2-[(3-ethyl-2-morpholin-4-ylpentanoyl)amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name(2R)-2-[(3-ethyl-2-morpholin-4-ylpentanoyl)amino]-4-methylpentanoic acid
PubChem CID119364378
Molecular FormulaC17H32N2O4
Molecular Weight328.45 g/mol
Exact Mass328.24
IUPAC Name(2R)-2-[(3-ethyl-2-morpholin-4-ylpentanoyl)amino]-4-methylpentanoic acid
SMILESCCC(CC)C(C(=O)N[C@H](CC(C)C)C(=O)O)N1CCOCC1
InChIInChI=1S/C17H32N2O4/c1-5-13(6-2)15(19-7-9-23-10-8-19)16(20)18-14(17(21)22)11-12(3)4/h12-15H,5-11H2,1-4H3,(H,18,20)(H,21,22)/t14-,15?/m1/s1
InChIKeyGGTWAKPBAYBBDI-GICMACPYSA-N
XLogP1.74
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.45
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R)-2-[(3-ethyl-2-morpholin-4-ylpentanoyl)amino]-4-methylpentanoic acid with MolForge

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Related Compounds

(2S)-4-methyl-2-[(2-morpholin-4-ylacetyl)amino]pentanoic acid
CID 90040549
(2R)-4-methyl-2-(2-morpholin-4-ylethylcarbamoylamino)pentanoic acid
CID 78976341
3-ethyl-2-morpholin-4-ylpentanamide
CID 154739613
3-methyl-2-morpholin-4-ylpentanoic acid
CID 61319548
4-methyl-2-(1,4-oxazepane-4-carbonylamino)pentanoic acid
CID 62969212
3-ethyl-N-[(2R)-2-(ethylamino)propyl]-2-morpholin-4-ylpentanamide;dihydrochloride
CID 120652628
(2R)-4-methyl-2-[(4-morpholin-4-yl-4-oxobutanoyl)amino]pentanoic acid
CID 119363098
3-ethyl-N-[3-(methylamino)propyl]-2-morpholin-4-ylpentanamide;dihydrochloride
CID 119432428
N-(2-amino-2-ethylbutyl)-3-ethyl-2-morpholin-4-ylpentanamide
CID 119642279
3-ethyl-2-morpholin-4-yl-N-(3-piperazin-1-ylpropyl)pentanamide;dihydrochloride
CID 119393081
2-(2,3-dimethylpentanoylamino)-4-methylpentanoic acid
CID 20766230
3-methyl-2-morpholin-4-ylbutanoic acid
CID 43104020

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3-ethyl-2-morpholin-4-ylpentanoyl)amino]-4-methylpentanoic acid?
The IUPAC name of (2R)-2-[(3-ethyl-2-morpholin-4-ylpentanoyl)amino]-4-methylpentanoic acid (CID 119364378) is (2R)-2-[(3-ethyl-2-morpholin-4-ylpentanoyl)amino]-4-methylpentanoic acid.
What is the SMILES notation for (2R)-2-[(3-ethyl-2-morpholin-4-ylpentanoyl)amino]-4-methylpentanoic acid?
The canonical SMILES for (2R)-2-[(3-ethyl-2-morpholin-4-ylpentanoyl)amino]-4-methylpentanoic acid is CCC(CC)C(C(=O)N[C@H](CC(C)C)C(=O)O)N1CCOCC1.
What is the InChIKey of (2R)-2-[(3-ethyl-2-morpholin-4-ylpentanoyl)amino]-4-methylpentanoic acid?
The InChIKey is GGTWAKPBAYBBDI-GICMACPYSA-N. The full InChI is InChI=1S/C17H32N2O4/c1-5-13(6-2)15(19-7-9-23-10-8-19)16(20)18-14(17(21)22)11-12(3)4/h12-15H,5-11H2,1-4H3,(H,18,20)(H,21,22)/t14-,15?/m1/s1.
What are the key properties of (2R)-2-[(3-ethyl-2-morpholin-4-ylpentanoyl)amino]-4-methylpentanoic acid?
(2R)-2-[(3-ethyl-2-morpholin-4-ylpentanoyl)amino]-4-methylpentanoic acid has a molecular weight of 328.45 g/mol, XLogP of 1.74, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(3-ethyl-2-morpholin-4-ylpentanoyl)amino]-4-methylpentanoic acid is sourced from PubChem (CID 119364378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).