(2S)-2-amino-4-methyl-N-(2-morpholin-4-ylethyl)pentanamide

C12H25N3O2 — CID 22690996

IUPAC(2S)-2-amino-4-methyl-N-(2-morpholin-4-ylethyl)pentanamide
SMILESCC(C)C[C@H](N)C(=O)NCCN1CCOCC1
InChIInChI=1S/C12H25N3O2/c1-10(2)9-11(13)12(16)14-3-4-15-5-7-17-8-6-15/h10-11H,3-9,13H2,1-2H3,(H,14,16)/t11-/m0/s1
InChIKeyPGPSBZJWWMIJGA-NSHDSACASA-N
MW243.35 g/mol
LogP-0.19
Rot. Bonds6

About (2S)-2-amino-4-methyl-N-(2-morpholin-4-ylethyl)pentanamide

(2S)-2-amino-4-methyl-N-(2-morpholin-4-ylethyl)pentanamide (PubChem CID 22690996) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is (2S)-2-amino-4-methyl-N-(2-morpholin-4-ylethyl)pentanamide.

Molecular Properties

Compound Name(2S)-2-amino-4-methyl-N-(2-morpholin-4-ylethyl)pentanamide
PubChem CID22690996
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC Name(2S)-2-amino-4-methyl-N-(2-morpholin-4-ylethyl)pentanamide
SMILESCC(C)C[C@H](N)C(=O)NCCN1CCOCC1
InChIInChI=1S/C12H25N3O2/c1-10(2)9-11(13)12(16)14-3-4-15-5-7-17-8-6-15/h10-11H,3-9,13H2,1-2H3,(H,14,16)/t11-/m0/s1
InChIKeyPGPSBZJWWMIJGA-NSHDSACASA-N
XLogP-0.19
TPSA67.59 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 ≤ 5-0.19
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-(2-morpholin-4-ylethyl)pentanamide?
The IUPAC name of (2S)-2-amino-4-methyl-N-(2-morpholin-4-ylethyl)pentanamide (CID 22690996) is (2S)-2-amino-4-methyl-N-(2-morpholin-4-ylethyl)pentanamide.
What is the SMILES notation for (2S)-2-amino-4-methyl-N-(2-morpholin-4-ylethyl)pentanamide?
The canonical SMILES for (2S)-2-amino-4-methyl-N-(2-morpholin-4-ylethyl)pentanamide is CC(C)C[C@H](N)C(=O)NCCN1CCOCC1.
What is the InChIKey of (2S)-2-amino-4-methyl-N-(2-morpholin-4-ylethyl)pentanamide?
The InChIKey is PGPSBZJWWMIJGA-NSHDSACASA-N. The full InChI is InChI=1S/C12H25N3O2/c1-10(2)9-11(13)12(16)14-3-4-15-5-7-17-8-6-15/h10-11H,3-9,13H2,1-2H3,(H,14,16)/t11-/m0/s1.
What are the key properties of (2S)-2-amino-4-methyl-N-(2-morpholin-4-ylethyl)pentanamide?
(2S)-2-amino-4-methyl-N-(2-morpholin-4-ylethyl)pentanamide has a molecular weight of 243.35 g/mol, XLogP of -0.19, 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-(2-morpholin-4-ylethyl)pentanamide is sourced from PubChem (CID 22690996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).