(2S,4R)-2-amino-2-ethyl-4-methoxy-3-methylpentanoic acid

C9H19NO3 — CID 174031603

IUPAC(2S,4R)-2-amino-2-ethyl-4-methoxy-3-methylpentanoic acid
SMILESCC[C@@](N)(C(=O)O)C(C)[C@@H](C)OC
InChIInChI=1S/C9H19NO3/c1-5-9(10,8(11)12)6(2)7(3)13-4/h6-7H,5,10H2,1-4H3,(H,11,12)/t6?,7-,9+/m1/s1
InChIKeyVMVQAYCLPQQEEH-HEWOVZETSA-N
MW189.25 g/mol
LogP0.85
Rot. Bonds5

About (2S,4R)-2-amino-2-ethyl-4-methoxy-3-methylpentanoic acid

(2S,4R)-2-amino-2-ethyl-4-methoxy-3-methylpentanoic acid (PubChem CID 174031603) has the molecular formula C9H19NO3 and a molecular weight of 189.25 g/mol. Its IUPAC name is (2S,4R)-2-amino-2-ethyl-4-methoxy-3-methylpentanoic acid.

Molecular Properties

Compound Name(2S,4R)-2-amino-2-ethyl-4-methoxy-3-methylpentanoic acid
PubChem CID174031603
Molecular FormulaC9H19NO3
Molecular Weight189.25 g/mol
Exact Mass189.14
IUPAC Name(2S,4R)-2-amino-2-ethyl-4-methoxy-3-methylpentanoic acid
SMILESCC[C@@](N)(C(=O)O)C(C)[C@@H](C)OC
InChIInChI=1S/C9H19NO3/c1-5-9(10,8(11)12)6(2)7(3)13-4/h6-7H,5,10H2,1-4H3,(H,11,12)/t6?,7-,9+/m1/s1
InChIKeyVMVQAYCLPQQEEH-HEWOVZETSA-N
XLogP0.85
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,4R)-2-amino-2-ethyl-4-methoxy-3-methylpentanoic acid?
The IUPAC name of (2S,4R)-2-amino-2-ethyl-4-methoxy-3-methylpentanoic acid (CID 174031603) is (2S,4R)-2-amino-2-ethyl-4-methoxy-3-methylpentanoic acid.
What is the SMILES notation for (2S,4R)-2-amino-2-ethyl-4-methoxy-3-methylpentanoic acid?
The canonical SMILES for (2S,4R)-2-amino-2-ethyl-4-methoxy-3-methylpentanoic acid is CC[C@@](N)(C(=O)O)C(C)[C@@H](C)OC.
What is the InChIKey of (2S,4R)-2-amino-2-ethyl-4-methoxy-3-methylpentanoic acid?
The InChIKey is VMVQAYCLPQQEEH-HEWOVZETSA-N. The full InChI is InChI=1S/C9H19NO3/c1-5-9(10,8(11)12)6(2)7(3)13-4/h6-7H,5,10H2,1-4H3,(H,11,12)/t6?,7-,9+/m1/s1.
What are the key properties of (2S,4R)-2-amino-2-ethyl-4-methoxy-3-methylpentanoic acid?
(2S,4R)-2-amino-2-ethyl-4-methoxy-3-methylpentanoic acid has a molecular weight of 189.25 g/mol, XLogP of 0.85, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-2-amino-2-ethyl-4-methoxy-3-methylpentanoic acid is sourced from PubChem (CID 174031603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).