2-acetamido-3-(4-methylpentan-2-yloxy)propanoic acid

C11H21NO4 — CID 65442972

IUPAC2-acetamido-3-(4-methylpentan-2-yloxy)propanoic acid
SMILESCC(=O)NC(COC(C)CC(C)C)C(=O)O
InChIInChI=1S/C11H21NO4/c1-7(2)5-8(3)16-6-10(11(14)15)12-9(4)13/h7-8,10H,5-6H2,1-4H3,(H,12,13)(H,14,15)
InChIKeyMRNYEKHTRSLTQG-UHFFFAOYSA-N
MW231.29 g/mol
LogP1.03
Rot. Bonds7

About 2-acetamido-3-(4-methylpentan-2-yloxy)propanoic acid

2-acetamido-3-(4-methylpentan-2-yloxy)propanoic acid (PubChem CID 65442972) has the molecular formula C11H21NO4 and a molecular weight of 231.29 g/mol. Its IUPAC name is 2-acetamido-3-(4-methylpentan-2-yloxy)propanoic acid.

Molecular Properties

Compound Name2-acetamido-3-(4-methylpentan-2-yloxy)propanoic acid
PubChem CID65442972
Molecular FormulaC11H21NO4
Molecular Weight231.29 g/mol
Exact Mass231.15
IUPAC Name2-acetamido-3-(4-methylpentan-2-yloxy)propanoic acid
SMILESCC(=O)NC(COC(C)CC(C)C)C(=O)O
InChIInChI=1S/C11H21NO4/c1-7(2)5-8(3)16-6-10(11(14)15)12-9(4)13/h7-8,10H,5-6H2,1-4H3,(H,12,13)(H,14,15)
InChIKeyMRNYEKHTRSLTQG-UHFFFAOYSA-N
XLogP1.03
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(acetyl(15N)amino)-4-methylpentanoic acid
CID 102053397
2-acetamido-3-(difluoromethoxy)propanoic acid
CID 76559628
2-acetamido-3-(4-methylpentoxy)propanoic acid
CID 65443172
2-acetamido-3-[methyl(4-methylpentan-2-yl)amino]propanoic acid
CID 64582521
(2R)-2-acetamido-3-but-3-enoxypropanoic acid
CID 46900123
N-[(4S)-2,6-dimethyl-3-oxoheptan-4-yl]acetamide
CID 58841973
2-ethoxy-3-(4-methylpentan-2-yloxy)propanoic acid
CID 63074300
2-acetamido-3-[bis(2-methylpropyl)amino]propanoic acid
CID 64582308
(2S)-2-[[(2S)-2-(acetyl(15N)amino)-3-(113C)methyl(1,2,3,4-13C4)butanoyl]amino]-4-(113C)methyl(1,2,3,4,5-13C5)pentanoic acid
CID 117064517
(2S)-2-[[(2S)-2-acetamido-3-methylbutanoyl]amino]-4-methylpentanoic acid
CID 54018653
2-acetamido-3-hydroxypropanoic acid;sulfane
CID 175323357
(2S)-2-acetamido-3-sulfanylpropanoic acid;bis((2R)-2-acetamido-3-sulfanylpropanoic acid)
CID 87596071

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-3-(4-methylpentan-2-yloxy)propanoic acid?
The IUPAC name of 2-acetamido-3-(4-methylpentan-2-yloxy)propanoic acid (CID 65442972) is 2-acetamido-3-(4-methylpentan-2-yloxy)propanoic acid.
What is the SMILES notation for 2-acetamido-3-(4-methylpentan-2-yloxy)propanoic acid?
The canonical SMILES for 2-acetamido-3-(4-methylpentan-2-yloxy)propanoic acid is CC(=O)NC(COC(C)CC(C)C)C(=O)O.
What is the InChIKey of 2-acetamido-3-(4-methylpentan-2-yloxy)propanoic acid?
The InChIKey is MRNYEKHTRSLTQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4/c1-7(2)5-8(3)16-6-10(11(14)15)12-9(4)13/h7-8,10H,5-6H2,1-4H3,(H,12,13)(H,14,15).
What are the key properties of 2-acetamido-3-(4-methylpentan-2-yloxy)propanoic acid?
2-acetamido-3-(4-methylpentan-2-yloxy)propanoic acid has a molecular weight of 231.29 g/mol, XLogP of 1.03, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-3-(4-methylpentan-2-yloxy)propanoic acid is sourced from PubChem (CID 65442972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).