(2S)-2-amino-2-[(1S)-3-oxo-1,2-dihydroisoindol-1-yl]acetic acid

C10H10N2O3 — CID 122401579

IUPAC(2S)-2-amino-2-[(1S)-3-oxo-1,2-dihydroisoindol-1-yl]acetic acid
SMILESN[C@H](C(=O)O)[C@H]1NC(=O)c2ccccc21
InChIInChI=1S/C10H10N2O3/c11-7(10(14)15)8-5-3-1-2-4-6(5)9(13)12-8/h1-4,7-8H,11H2,(H,12,13)(H,14,15)/t7-,8-/m0/s1
InChIKeyRRPOJKLCOUMMLJ-YUMQZZPRSA-N
MW206.20 g/mol
LogP-0.12
Rot. Bonds2

About (2S)-2-amino-2-[(1S)-3-oxo-1,2-dihydroisoindol-1-yl]acetic acid

(2S)-2-amino-2-[(1S)-3-oxo-1,2-dihydroisoindol-1-yl]acetic acid (PubChem CID 122401579) has the molecular formula C10H10N2O3 and a molecular weight of 206.20 g/mol. Its IUPAC name is (2S)-2-amino-2-[(1S)-3-oxo-1,2-dihydroisoindol-1-yl]acetic acid.

Molecular Properties

Compound Name(2S)-2-amino-2-[(1S)-3-oxo-1,2-dihydroisoindol-1-yl]acetic acid
PubChem CID122401579
Molecular FormulaC10H10N2O3
Molecular Weight206.20 g/mol
Exact Mass206.07
IUPAC Name(2S)-2-amino-2-[(1S)-3-oxo-1,2-dihydroisoindol-1-yl]acetic acid
SMILESN[C@H](C(=O)O)[C@H]1NC(=O)c2ccccc21
InChIInChI=1S/C10H10N2O3/c11-7(10(14)15)8-5-3-1-2-4-6(5)9(13)12-8/h1-4,7-8H,11H2,(H,12,13)(H,14,15)/t7-,8-/m0/s1
InChIKeyRRPOJKLCOUMMLJ-YUMQZZPRSA-N
XLogP-0.12
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 5-0.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-2-[(1S)-4-fluoro-3-oxo-1,2-dihydroisoindol-1-yl]acetic acid
CID 122401581
2-isocyano-2-(3-oxo-1,2-dihydroisoindol-1-yl)-N-phenylacetamide
CID 20669353
3-phenacyl-2,3-dihydroisoindol-1-one
CID 10857928
3-acetyl-2,3-dihydroisoindol-1-one
CID 58837111
(Z)-3-(3-oxo-1,2-dihydroisoindol-1-yl)prop-2-enoic acid
CID 174884138
2-amino-4-(9H-fluoren-9-ylmethoxy)-4-oxobutanoic acid
CID 14559129
3-(hydroxymethyl)-2,3-dihydroisoindol-1-one
CID 119088605
2-(5-hydroxy-3-oxo-1,2-dihydroisoindol-1-yl)propanoic acid
CID 67440922
3-[(3-oxo-1,2-dihydroisoindol-1-yl)methyl]-2,3-dihydroisoindol-1-one
CID 164673181
methyl (1S)-3-oxo-1,2-dihydroisoindole-1-carboxylate
CID 97359010
1-amino-1,1a,2,7b-tetrahydrocyclopropa[c]isoquinolin-3-one
CID 151643396
N-benzyl-2-[(1S)-3-oxo-1,2-dihydroisoindol-1-yl]acetamide
CID 7678919

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-[(1S)-3-oxo-1,2-dihydroisoindol-1-yl]acetic acid?
The IUPAC name of (2S)-2-amino-2-[(1S)-3-oxo-1,2-dihydroisoindol-1-yl]acetic acid (CID 122401579) is (2S)-2-amino-2-[(1S)-3-oxo-1,2-dihydroisoindol-1-yl]acetic acid.
What is the SMILES notation for (2S)-2-amino-2-[(1S)-3-oxo-1,2-dihydroisoindol-1-yl]acetic acid?
The canonical SMILES for (2S)-2-amino-2-[(1S)-3-oxo-1,2-dihydroisoindol-1-yl]acetic acid is N[C@H](C(=O)O)[C@H]1NC(=O)c2ccccc21.
What is the InChIKey of (2S)-2-amino-2-[(1S)-3-oxo-1,2-dihydroisoindol-1-yl]acetic acid?
The InChIKey is RRPOJKLCOUMMLJ-YUMQZZPRSA-N. The full InChI is InChI=1S/C10H10N2O3/c11-7(10(14)15)8-5-3-1-2-4-6(5)9(13)12-8/h1-4,7-8H,11H2,(H,12,13)(H,14,15)/t7-,8-/m0/s1.
What are the key properties of (2S)-2-amino-2-[(1S)-3-oxo-1,2-dihydroisoindol-1-yl]acetic acid?
(2S)-2-amino-2-[(1S)-3-oxo-1,2-dihydroisoindol-1-yl]acetic acid has a molecular weight of 206.20 g/mol, XLogP of -0.12, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-[(1S)-3-oxo-1,2-dihydroisoindol-1-yl]acetic acid is sourced from PubChem (CID 122401579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).