(2S,3R)-2-amino-3-methyl-2-(2-morpholin-4-ylethyl)pentanamide

C12H25N3O2 — CID 67246224

IUPAC(2S,3R)-2-amino-3-methyl-2-(2-morpholin-4-ylethyl)pentanamide
SMILESCC[C@@H](C)[C@@](N)(CCN1CCOCC1)C(N)=O
InChIInChI=1S/C12H25N3O2/c1-3-10(2)12(14,11(13)16)4-5-15-6-8-17-9-7-15/h10H,3-9,14H2,1-2H3,(H2,13,16)/t10-,12+/m1/s1
InChIKeyQSEFXGUVMLBXPM-PWSUYJOCSA-N
MW243.35 g/mol
LogP-0.06
Rot. Bonds6

About (2S,3R)-2-amino-3-methyl-2-(2-morpholin-4-ylethyl)pentanamide

(2S,3R)-2-amino-3-methyl-2-(2-morpholin-4-ylethyl)pentanamide (PubChem CID 67246224) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is (2S,3R)-2-amino-3-methyl-2-(2-morpholin-4-ylethyl)pentanamide.

Molecular Properties

Compound Name(2S,3R)-2-amino-3-methyl-2-(2-morpholin-4-ylethyl)pentanamide
PubChem CID67246224
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC Name(2S,3R)-2-amino-3-methyl-2-(2-morpholin-4-ylethyl)pentanamide
SMILESCC[C@@H](C)[C@@](N)(CCN1CCOCC1)C(N)=O
InChIInChI=1S/C12H25N3O2/c1-3-10(2)12(14,11(13)16)4-5-15-6-8-17-9-7-15/h10H,3-9,14H2,1-2H3,(H2,13,16)/t10-,12+/m1/s1
InChIKeyQSEFXGUVMLBXPM-PWSUYJOCSA-N
XLogP-0.06
TPSA81.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-amino-3-methyl-2-(2-morpholin-4-ylethyl)pentanamide?
The IUPAC name of (2S,3R)-2-amino-3-methyl-2-(2-morpholin-4-ylethyl)pentanamide (CID 67246224) is (2S,3R)-2-amino-3-methyl-2-(2-morpholin-4-ylethyl)pentanamide.
What is the SMILES notation for (2S,3R)-2-amino-3-methyl-2-(2-morpholin-4-ylethyl)pentanamide?
The canonical SMILES for (2S,3R)-2-amino-3-methyl-2-(2-morpholin-4-ylethyl)pentanamide is CC[C@@H](C)[C@@](N)(CCN1CCOCC1)C(N)=O.
What is the InChIKey of (2S,3R)-2-amino-3-methyl-2-(2-morpholin-4-ylethyl)pentanamide?
The InChIKey is QSEFXGUVMLBXPM-PWSUYJOCSA-N. The full InChI is InChI=1S/C12H25N3O2/c1-3-10(2)12(14,11(13)16)4-5-15-6-8-17-9-7-15/h10H,3-9,14H2,1-2H3,(H2,13,16)/t10-,12+/m1/s1.
What are the key properties of (2S,3R)-2-amino-3-methyl-2-(2-morpholin-4-ylethyl)pentanamide?
(2S,3R)-2-amino-3-methyl-2-(2-morpholin-4-ylethyl)pentanamide has a molecular weight of 243.35 g/mol, XLogP of -0.06, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-amino-3-methyl-2-(2-morpholin-4-ylethyl)pentanamide is sourced from PubChem (CID 67246224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).