2-[[(2R)-2-amino-3-(2-methyl-4-oxopentan-2-yl)sulfanylpropanoyl]amino]acetic acid

C11H20N2O4S — CID 134820474

IUPAC2-[[(2R)-2-amino-3-(2-methyl-4-oxopentan-2-yl)sulfanylpropanoyl]amino]acetic acid
SMILESCC(=O)CC(C)(C)SC[C@H](N)C(=O)NCC(=O)O
InChIInChI=1S/C11H20N2O4S/c1-7(14)4-11(2,3)18-6-8(12)10(17)13-5-9(15)16/h8H,4-6,12H2,1-3H3,(H,13,17)(H,15,16)/t8-/m0/s1
InChIKeyDFJKOEFGUBOEJE-QMMMGPOBSA-N
MW276.36 g/mol
LogP0.01
Rot. Bonds8

About 2-[[(2R)-2-amino-3-(2-methyl-4-oxopentan-2-yl)sulfanylpropanoyl]amino]acetic acid

2-[[(2R)-2-amino-3-(2-methyl-4-oxopentan-2-yl)sulfanylpropanoyl]amino]acetic acid (PubChem CID 134820474) has the molecular formula C11H20N2O4S and a molecular weight of 276.36 g/mol. Its IUPAC name is 2-[[(2R)-2-amino-3-(2-methyl-4-oxopentan-2-yl)sulfanylpropanoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[(2R)-2-amino-3-(2-methyl-4-oxopentan-2-yl)sulfanylpropanoyl]amino]acetic acid
PubChem CID134820474
Molecular FormulaC11H20N2O4S
Molecular Weight276.36 g/mol
Exact Mass276.11
IUPAC Name2-[[(2R)-2-amino-3-(2-methyl-4-oxopentan-2-yl)sulfanylpropanoyl]amino]acetic acid
SMILESCC(=O)CC(C)(C)SC[C@H](N)C(=O)NCC(=O)O
InChIInChI=1S/C11H20N2O4S/c1-7(14)4-11(2,3)18-6-8(12)10(17)13-5-9(15)16/h8H,4-6,12H2,1-3H3,(H,13,17)(H,15,16)/t8-/m0/s1
InChIKeyDFJKOEFGUBOEJE-QMMMGPOBSA-N
XLogP0.01
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 50.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-amino-3-(2-methyl-4-oxopentan-2-yl)sulfanylpropanoic acid
CID 91474613
(2S)-2-amino-5-[[(2S)-1-(carboxymethylamino)-3-(2-methyl-4-oxopentan-2-yl)sulfanyl-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
CID 102229789
2-[[(2R)-2-amino-3-[[(2R)-2-amino-3-(carboxymethylamino)-3-oxopropyl]disulfanyl]propanoyl]amino]acetic acid;dihydrochloride
CID 127239953
2-[[(2R)-2-amino-3-tritylsulfanylpropanoyl]amino]acetic acid
CID 21117270
2-[[(2S)-2-amino-4-methylpent-4-enoyl]amino]acetic acid
CID 142050600
2-[[(2R)-2-amino-3-hydroxypropanoyl]amino]acetic acid
CID 3246319
2-[(2-amino-3-selanylpropanoyl)amino]acetic acid
CID 175250934
2-[(3-acetylsulfanyl-3-methylbutanoyl)amino]acetic acid
CID 54424453
4-amino-5-oxo-5-(2-oxopropylamino)pentanoic acid
CID 123673519
2-[[2-amino-3-(3-methylsulfinylpropylcarbamothioylsulfanyl)propanoyl]amino]acetic acid
CID 86253910
2-[[(2R)-2-amino-3-(1-hydroxyhexan-3-ylsulfanyl)propanoyl]amino]acetic acid
CID 90240979
2-[[(2S)-2-amino-3-methylbutanoyl]amino]acetic acid
CID 6993111

Frequently Asked Questions

What is the IUPAC name of 2-[[(2R)-2-amino-3-(2-methyl-4-oxopentan-2-yl)sulfanylpropanoyl]amino]acetic acid?
The IUPAC name of 2-[[(2R)-2-amino-3-(2-methyl-4-oxopentan-2-yl)sulfanylpropanoyl]amino]acetic acid (CID 134820474) is 2-[[(2R)-2-amino-3-(2-methyl-4-oxopentan-2-yl)sulfanylpropanoyl]amino]acetic acid.
What is the SMILES notation for 2-[[(2R)-2-amino-3-(2-methyl-4-oxopentan-2-yl)sulfanylpropanoyl]amino]acetic acid?
The canonical SMILES for 2-[[(2R)-2-amino-3-(2-methyl-4-oxopentan-2-yl)sulfanylpropanoyl]amino]acetic acid is CC(=O)CC(C)(C)SC[C@H](N)C(=O)NCC(=O)O.
What is the InChIKey of 2-[[(2R)-2-amino-3-(2-methyl-4-oxopentan-2-yl)sulfanylpropanoyl]amino]acetic acid?
The InChIKey is DFJKOEFGUBOEJE-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H20N2O4S/c1-7(14)4-11(2,3)18-6-8(12)10(17)13-5-9(15)16/h8H,4-6,12H2,1-3H3,(H,13,17)(H,15,16)/t8-/m0/s1.
What are the key properties of 2-[[(2R)-2-amino-3-(2-methyl-4-oxopentan-2-yl)sulfanylpropanoyl]amino]acetic acid?
2-[[(2R)-2-amino-3-(2-methyl-4-oxopentan-2-yl)sulfanylpropanoyl]amino]acetic acid has a molecular weight of 276.36 g/mol, XLogP of 0.01, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R)-2-amino-3-(2-methyl-4-oxopentan-2-yl)sulfanylpropanoyl]amino]acetic acid is sourced from PubChem (CID 134820474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).