2-[(2S)-2-amino-3-methylbutanoyl]oxypropanoic acid

C8H15NO4 — CID 54208799

IUPAC2-[(2S)-2-amino-3-methylbutanoyl]oxypropanoic acid
SMILESCC(OC(=O)[C@@H](N)C(C)C)C(=O)O
InChIInChI=1S/C8H15NO4/c1-4(2)6(9)8(12)13-5(3)7(10)11/h4-6H,9H2,1-3H3,(H,10,11)/t5?,6-/m0/s1
InChIKeyPULHSZUYKJKPMM-GDVGLLTNSA-N
MW189.21 g/mol
LogP-0.01
Rot. Bonds4

About 2-[(2S)-2-amino-3-methylbutanoyl]oxypropanoic acid

2-[(2S)-2-amino-3-methylbutanoyl]oxypropanoic acid (PubChem CID 54208799) has the molecular formula C8H15NO4 and a molecular weight of 189.21 g/mol. Its IUPAC name is 2-[(2S)-2-amino-3-methylbutanoyl]oxypropanoic acid.

Molecular Properties

Compound Name2-[(2S)-2-amino-3-methylbutanoyl]oxypropanoic acid
PubChem CID54208799
Molecular FormulaC8H15NO4
Molecular Weight189.21 g/mol
Exact Mass189.10
IUPAC Name2-[(2S)-2-amino-3-methylbutanoyl]oxypropanoic acid
SMILESCC(OC(=O)[C@@H](N)C(C)C)C(=O)O
InChIInChI=1S/C8H15NO4/c1-4(2)6(9)8(12)13-5(3)7(10)11/h4-6H,9H2,1-3H3,(H,10,11)/t5?,6-/m0/s1
InChIKeyPULHSZUYKJKPMM-GDVGLLTNSA-N
XLogP-0.01
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[(2S)-2-hydroxypropanoyl]oxypropanoic acid
CID 139060964
2-[(2R)-2-hydroxypropanoyl]oxypropanoic acid
CID 54178313
1-hydroxyethyl 2-amino-3-methylbutanoate
CID 87071351
potassium;hydride;2-(2-hydroxypropanoyloxy)propanoic acid
CID 173006474
(2R)-2-(15N)azanyl-3-methylbutanoic acid
CID 10558606
1-iodoethyl 2-amino-3-methylbutanoate
CID 122533786
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-1-[(2S)-1-[(2S)-1-[(1S)-1-carboxyethoxy]-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoic acid
CID 156757405
(2S)-2-[(2R,3R)-2,3-dihydroxy-4-oxopentanoyl]oxypropanoic acid
CID 157086316
(2S)-2-amino-3-methylbutanoic acid;silyloxysilane
CID 173116914
2-[2-[2-(2-methoxypropanoyloxy)propanoyloxy]propanoyloxy]propanoic acid
CID 89492748
bis((2S)-2-amino-3-methylbutanoic acid);sulfane
CID 87598201
silver 2-amino-3-methylbutanoic acid
CID 19021116

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-amino-3-methylbutanoyl]oxypropanoic acid?
The IUPAC name of 2-[(2S)-2-amino-3-methylbutanoyl]oxypropanoic acid (CID 54208799) is 2-[(2S)-2-amino-3-methylbutanoyl]oxypropanoic acid.
What is the SMILES notation for 2-[(2S)-2-amino-3-methylbutanoyl]oxypropanoic acid?
The canonical SMILES for 2-[(2S)-2-amino-3-methylbutanoyl]oxypropanoic acid is CC(OC(=O)[C@@H](N)C(C)C)C(=O)O.
What is the InChIKey of 2-[(2S)-2-amino-3-methylbutanoyl]oxypropanoic acid?
The InChIKey is PULHSZUYKJKPMM-GDVGLLTNSA-N. The full InChI is InChI=1S/C8H15NO4/c1-4(2)6(9)8(12)13-5(3)7(10)11/h4-6H,9H2,1-3H3,(H,10,11)/t5?,6-/m0/s1.
What are the key properties of 2-[(2S)-2-amino-3-methylbutanoyl]oxypropanoic acid?
2-[(2S)-2-amino-3-methylbutanoyl]oxypropanoic acid has a molecular weight of 189.21 g/mol, XLogP of -0.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-amino-3-methylbutanoyl]oxypropanoic acid is sourced from PubChem (CID 54208799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).