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

C12H25N3O2 — CID 18604758

IUPAC(2S,3S)-2-amino-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide
SMILESCC[C@H](C)[C@H](N)C(=O)NCCN1CCOCC1
InChIInChI=1S/C12H25N3O2/c1-3-10(2)11(13)12(16)14-4-5-15-6-8-17-9-7-15/h10-11H,3-9,13H2,1-2H3,(H,14,16)/t10-,11-/m0/s1
InChIKeyYNMUTYLWSRFTPX-QWRGUYRKSA-N
MW243.35 g/mol
LogP-0.19
Rot. Bonds6

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

(2S,3S)-2-amino-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide (PubChem CID 18604758) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is (2S,3S)-2-amino-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide.

Molecular Properties

Compound Name(2S,3S)-2-amino-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide
PubChem CID18604758
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC Name(2S,3S)-2-amino-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide
SMILESCC[C@H](C)[C@H](N)C(=O)NCCN1CCOCC1
InChIInChI=1S/C12H25N3O2/c1-3-10(2)11(13)12(16)14-4-5-15-6-8-17-9-7-15/h10-11H,3-9,13H2,1-2H3,(H,14,16)/t10-,11-/m0/s1
InChIKeyYNMUTYLWSRFTPX-QWRGUYRKSA-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,3S)-2-amino-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide?
The IUPAC name of (2S,3S)-2-amino-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide (CID 18604758) is (2S,3S)-2-amino-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide.
What is the SMILES notation for (2S,3S)-2-amino-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide?
The canonical SMILES for (2S,3S)-2-amino-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide is CC[C@H](C)[C@H](N)C(=O)NCCN1CCOCC1.
What is the InChIKey of (2S,3S)-2-amino-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide?
The InChIKey is YNMUTYLWSRFTPX-QWRGUYRKSA-N. The full InChI is InChI=1S/C12H25N3O2/c1-3-10(2)11(13)12(16)14-4-5-15-6-8-17-9-7-15/h10-11H,3-9,13H2,1-2H3,(H,14,16)/t10-,11-/m0/s1.
What are the key properties of (2S,3S)-2-amino-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide?
(2S,3S)-2-amino-3-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,3S)-2-amino-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide is sourced from PubChem (CID 18604758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).