(2S)-2-amino-4-methyl-N-(3-morpholin-4-ylbutan-2-yl)pentanamide

C14H29N3O2 — CID 119878524

IUPAC(2S)-2-amino-4-methyl-N-(3-morpholin-4-ylbutan-2-yl)pentanamide
SMILESCC(C)C[C@H](N)C(=O)NC(C)C(C)N1CCOCC1
InChIInChI=1S/C14H29N3O2/c1-10(2)9-13(15)14(18)16-11(3)12(4)17-5-7-19-8-6-17/h10-13H,5-9,15H2,1-4H3,(H,16,18)/t11?,12?,13-/m0/s1
InChIKeyZFLSUOGIVXOIMV-BPCQOVAHSA-N
MW271.40 g/mol
LogP0.59
Rot. Bonds6

About (2S)-2-amino-4-methyl-N-(3-morpholin-4-ylbutan-2-yl)pentanamide

(2S)-2-amino-4-methyl-N-(3-morpholin-4-ylbutan-2-yl)pentanamide (PubChem CID 119878524) has the molecular formula C14H29N3O2 and a molecular weight of 271.40 g/mol. Its IUPAC name is (2S)-2-amino-4-methyl-N-(3-morpholin-4-ylbutan-2-yl)pentanamide.

Molecular Properties

Compound Name(2S)-2-amino-4-methyl-N-(3-morpholin-4-ylbutan-2-yl)pentanamide
PubChem CID119878524
Molecular FormulaC14H29N3O2
Molecular Weight271.40 g/mol
Exact Mass271.23
IUPAC Name(2S)-2-amino-4-methyl-N-(3-morpholin-4-ylbutan-2-yl)pentanamide
SMILESCC(C)C[C@H](N)C(=O)NC(C)C(C)N1CCOCC1
InChIInChI=1S/C14H29N3O2/c1-10(2)9-13(15)14(18)16-11(3)12(4)17-5-7-19-8-6-17/h10-13H,5-9,15H2,1-4H3,(H,16,18)/t11?,12?,13-/m0/s1
InChIKeyZFLSUOGIVXOIMV-BPCQOVAHSA-N
XLogP0.59
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-methyl-N-(3-morpholin-4-ylbutan-2-yl)pentanamide?
The IUPAC name of (2S)-2-amino-4-methyl-N-(3-morpholin-4-ylbutan-2-yl)pentanamide (CID 119878524) is (2S)-2-amino-4-methyl-N-(3-morpholin-4-ylbutan-2-yl)pentanamide.
What is the SMILES notation for (2S)-2-amino-4-methyl-N-(3-morpholin-4-ylbutan-2-yl)pentanamide?
The canonical SMILES for (2S)-2-amino-4-methyl-N-(3-morpholin-4-ylbutan-2-yl)pentanamide is CC(C)C[C@H](N)C(=O)NC(C)C(C)N1CCOCC1.
What is the InChIKey of (2S)-2-amino-4-methyl-N-(3-morpholin-4-ylbutan-2-yl)pentanamide?
The InChIKey is ZFLSUOGIVXOIMV-BPCQOVAHSA-N. The full InChI is InChI=1S/C14H29N3O2/c1-10(2)9-13(15)14(18)16-11(3)12(4)17-5-7-19-8-6-17/h10-13H,5-9,15H2,1-4H3,(H,16,18)/t11?,12?,13-/m0/s1.
What are the key properties of (2S)-2-amino-4-methyl-N-(3-morpholin-4-ylbutan-2-yl)pentanamide?
(2S)-2-amino-4-methyl-N-(3-morpholin-4-ylbutan-2-yl)pentanamide has a molecular weight of 271.40 g/mol, XLogP of 0.59, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-methyl-N-(3-morpholin-4-ylbutan-2-yl)pentanamide is sourced from PubChem (CID 119878524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).