methanesulfonic acid;methyl (2S)-2-amino-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate

C9H18N2O6S — CID 163323578

IUPACmethanesulfonic acid;methyl (2S)-2-amino-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate
SMILESCOC(=O)[C@@H](N)C[C@@H]1CCNC1=O.CS(=O)(=O)O
InChIInChI=1S/C8H14N2O3.CH4O3S/c1-13-8(12)6(9)4-5-2-3-10-7(5)11;1-5(2,3)4/h5-6H,2-4,9H2,1H3,(H,10,11);1H3,(H,2,3,4)/t5-,6-;/m0./s1
InChIKeyYZRDYMYFEHBEIC-GEMLJDPKSA-N
MW282.32 g/mol
LogP-1.48
Rot. Bonds3

About methanesulfonic acid;methyl (2S)-2-amino-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate

methanesulfonic acid;methyl (2S)-2-amino-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate (PubChem CID 163323578) has the molecular formula C9H18N2O6S and a molecular weight of 282.32 g/mol. Its IUPAC name is methanesulfonic acid;methyl (2S)-2-amino-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate.

Molecular Properties

Compound Namemethanesulfonic acid;methyl (2S)-2-amino-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate
PubChem CID163323578
Molecular FormulaC9H18N2O6S
Molecular Weight282.32 g/mol
Exact Mass282.09
IUPAC Namemethanesulfonic acid;methyl (2S)-2-amino-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate
SMILESCOC(=O)[C@@H](N)C[C@@H]1CCNC1=O.CS(=O)(=O)O
InChIInChI=1S/C8H14N2O3.CH4O3S/c1-13-8(12)6(9)4-5-2-3-10-7(5)11;1-5(2,3)4/h5-6H,2-4,9H2,1H3,(H,10,11);1H3,(H,2,3,4)/t5-,6-;/m0./s1
InChIKeyYZRDYMYFEHBEIC-GEMLJDPKSA-N
XLogP-1.48
TPSA135.79 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 5-1.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-amino-3-[(3S)-2-oxopyrrolidin-3-yl]propanenitrile;methanesulfonic acid
CID 163323580
2-amino-3-(2-oxopyrrolidin-3-yl)propanamide
CID 166112267
(2S)-2-amino-N-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-4-methylpentanamide;methanesulfonic acid
CID 175731532
2-amino-3-(2-oxopyrrolidin-3-yl)propanamide;prop-1-ene
CID 166112266
methyl (2S)-2-(aminoiodanuidylmethyl)-3-[(3R)-2-oxopyrrolidin-3-yl]propanoate
CID 162479060
methyl (2S)-2-[[(2S)-2-amino-3-cyclopropylpropanoyl]amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate;hydrochloride
CID 162478934
methyl (2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate
CID 90368691
(3S)-3-(2-amino-4-chloro-3-oxobutyl)pyrrolidin-2-one
CID 143139104
methyl 2-[(2-amino-3-cyclobutylpropanoyl)amino]-3-(2-oxopyrrolidin-3-yl)propanoate
CID 175458281
ethyl 2-amino-3-(2-oxopiperidin-3-yl)propanoate;hydrochloride
CID 169257069
methyl 2-(2,2-dimethylpropanoylamino)-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate
CID 175531737
methyl 2-[[(2S)-2-aminopent-4-ynoyl]amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate
CID 166744807

Frequently Asked Questions

What is the IUPAC name of methanesulfonic acid;methyl (2S)-2-amino-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate?
The IUPAC name of methanesulfonic acid;methyl (2S)-2-amino-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate (CID 163323578) is methanesulfonic acid;methyl (2S)-2-amino-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate.
What is the SMILES notation for methanesulfonic acid;methyl (2S)-2-amino-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate?
The canonical SMILES for methanesulfonic acid;methyl (2S)-2-amino-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate is COC(=O)[C@@H](N)C[C@@H]1CCNC1=O.CS(=O)(=O)O.
What is the InChIKey of methanesulfonic acid;methyl (2S)-2-amino-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate?
The InChIKey is YZRDYMYFEHBEIC-GEMLJDPKSA-N. The full InChI is InChI=1S/C8H14N2O3.CH4O3S/c1-13-8(12)6(9)4-5-2-3-10-7(5)11;1-5(2,3)4/h5-6H,2-4,9H2,1H3,(H,10,11);1H3,(H,2,3,4)/t5-,6-;/m0./s1.
What are the key properties of methanesulfonic acid;methyl (2S)-2-amino-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate?
methanesulfonic acid;methyl (2S)-2-amino-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate has a molecular weight of 282.32 g/mol, XLogP of -1.48, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methanesulfonic acid;methyl (2S)-2-amino-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate is sourced from PubChem (CID 163323578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).