(2S)-2-[[2-(2-hydroxypropoxy)acetyl]amino]-4-methylpentanoic acid

C11H21NO5 — CID 175817089

IUPAC(2S)-2-[[2-(2-hydroxypropoxy)acetyl]amino]-4-methylpentanoic acid
SMILESCC(C)C[C@H](NC(=O)COCC(C)O)C(=O)O
InChIInChI=1S/C11H21NO5/c1-7(2)4-9(11(15)16)12-10(14)6-17-5-8(3)13/h7-9,13H,4-6H2,1-3H3,(H,12,14)(H,15,16)/t8?,9-/m0/s1
InChIKeyCMRROKUPOYPZHP-GKAPJAKFSA-N
MW247.29 g/mol
LogP-0.00
Rot. Bonds8

About (2S)-2-[[2-(2-hydroxypropoxy)acetyl]amino]-4-methylpentanoic acid

(2S)-2-[[2-(2-hydroxypropoxy)acetyl]amino]-4-methylpentanoic acid (PubChem CID 175817089) has the molecular formula C11H21NO5 and a molecular weight of 247.29 g/mol. Its IUPAC name is (2S)-2-[[2-(2-hydroxypropoxy)acetyl]amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name(2S)-2-[[2-(2-hydroxypropoxy)acetyl]amino]-4-methylpentanoic acid
PubChem CID175817089
Molecular FormulaC11H21NO5
Molecular Weight247.29 g/mol
Exact Mass247.14
IUPAC Name(2S)-2-[[2-(2-hydroxypropoxy)acetyl]amino]-4-methylpentanoic acid
SMILESCC(C)C[C@H](NC(=O)COCC(C)O)C(=O)O
InChIInChI=1S/C11H21NO5/c1-7(2)4-9(11(15)16)12-10(14)6-17-5-8(3)13/h7-9,13H,4-6H2,1-3H3,(H,12,14)(H,15,16)/t8?,9-/m0/s1
InChIKeyCMRROKUPOYPZHP-GKAPJAKFSA-N
XLogP-0.00
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 5-0.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2S)-2-[[2-(2-hydroxypropoxy)acetyl]amino]-4-methylpentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[2-(2-hydroxypropoxy)acetyl]amino]-4-methylpentanoic acid?
The IUPAC name of (2S)-2-[[2-(2-hydroxypropoxy)acetyl]amino]-4-methylpentanoic acid (CID 175817089) is (2S)-2-[[2-(2-hydroxypropoxy)acetyl]amino]-4-methylpentanoic acid.
What is the SMILES notation for (2S)-2-[[2-(2-hydroxypropoxy)acetyl]amino]-4-methylpentanoic acid?
The canonical SMILES for (2S)-2-[[2-(2-hydroxypropoxy)acetyl]amino]-4-methylpentanoic acid is CC(C)C[C@H](NC(=O)COCC(C)O)C(=O)O.
What is the InChIKey of (2S)-2-[[2-(2-hydroxypropoxy)acetyl]amino]-4-methylpentanoic acid?
The InChIKey is CMRROKUPOYPZHP-GKAPJAKFSA-N. The full InChI is InChI=1S/C11H21NO5/c1-7(2)4-9(11(15)16)12-10(14)6-17-5-8(3)13/h7-9,13H,4-6H2,1-3H3,(H,12,14)(H,15,16)/t8?,9-/m0/s1.
What are the key properties of (2S)-2-[[2-(2-hydroxypropoxy)acetyl]amino]-4-methylpentanoic acid?
(2S)-2-[[2-(2-hydroxypropoxy)acetyl]amino]-4-methylpentanoic acid has a molecular weight of 247.29 g/mol, XLogP of -0.00, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[2-(2-hydroxypropoxy)acetyl]amino]-4-methylpentanoic acid is sourced from PubChem (CID 175817089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).