methyl (2S,3R)-3-hydroxy-2-[(2-methylpyrrolidine-2-carbonyl)amino]butanoate

C11H20N2O4 — CID 90329982

IUPACmethyl (2S,3R)-3-hydroxy-2-[(2-methylpyrrolidine-2-carbonyl)amino]butanoate
SMILESCOC(=O)[C@@H](NC(=O)C1(C)CCCN1)[C@@H](C)O
InChIInChI=1S/C11H20N2O4/c1-7(14)8(9(15)17-3)13-10(16)11(2)5-4-6-12-11/h7-8,12,14H,4-6H2,1-3H3,(H,13,16)/t7-,8+,11?/m1/s1
InChIKeyQCNXZPMXSKNOIQ-IXIJJPBFSA-N
MW244.29 g/mol
LogP-0.83
Rot. Bonds4

About methyl (2S,3R)-3-hydroxy-2-[(2-methylpyrrolidine-2-carbonyl)amino]butanoate

methyl (2S,3R)-3-hydroxy-2-[(2-methylpyrrolidine-2-carbonyl)amino]butanoate (PubChem CID 90329982) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is methyl (2S,3R)-3-hydroxy-2-[(2-methylpyrrolidine-2-carbonyl)amino]butanoate.

Molecular Properties

Compound Namemethyl (2S,3R)-3-hydroxy-2-[(2-methylpyrrolidine-2-carbonyl)amino]butanoate
PubChem CID90329982
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Namemethyl (2S,3R)-3-hydroxy-2-[(2-methylpyrrolidine-2-carbonyl)amino]butanoate
SMILESCOC(=O)[C@@H](NC(=O)C1(C)CCCN1)[C@@H](C)O
InChIInChI=1S/C11H20N2O4/c1-7(14)8(9(15)17-3)13-10(16)11(2)5-4-6-12-11/h7-8,12,14H,4-6H2,1-3H3,(H,13,16)/t7-,8+,11?/m1/s1
InChIKeyQCNXZPMXSKNOIQ-IXIJJPBFSA-N
XLogP-0.83
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 5-0.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methoxybutan-2-yl)-2-methylpyrrolidine-2-carboxamide
CID 64605467
N-but-3-en-2-yl-2-methylpyrrolidine-2-carboxamide
CID 115747650
N-[1-(tert-butylamino)-1-oxopropan-2-yl]-2-methylpyrrolidine-2-carboxamide
CID 112702823
N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-methylpyrrolidine-2-carboxamide
CID 81364307
methyl (2S)-2-[(2-ethylpyrrolidine-2-carbonyl)amino]-3-methylbutanoate
CID 83071488
N-[(2S)-1-hydroxypropan-2-yl]-2-methylpiperidine-2-carboxamide
CID 107218975
methyl 2-[(2-methylpiperidine-2-carbonyl)amino]-2-phenylacetate
CID 104596729
2-methyl-N-(2-propan-2-yloxyethyl)pyrrolidine-2-carboxamide
CID 104761059
(2R)-5-methoxy-2-[(2-methylpyrrolidine-2-carbonyl)amino]-5-oxopentanoic acid
CID 103870614
N-(4-hydroxy-1-methoxybutan-2-yl)-2-methylpiperidine-2-carboxamide
CID 106161126
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-methylpyrrolidine-2-carboxamide;hydrochloride
CID 110012111
(2R)-2-methyl-N-[(2R)-1-(2-methylpropoxy)propan-2-yl]piperidine-2-carboxamide
CID 99853203

Frequently Asked Questions

What is the IUPAC name of methyl (2S,3R)-3-hydroxy-2-[(2-methylpyrrolidine-2-carbonyl)amino]butanoate?
The IUPAC name of methyl (2S,3R)-3-hydroxy-2-[(2-methylpyrrolidine-2-carbonyl)amino]butanoate (CID 90329982) is methyl (2S,3R)-3-hydroxy-2-[(2-methylpyrrolidine-2-carbonyl)amino]butanoate.
What is the SMILES notation for methyl (2S,3R)-3-hydroxy-2-[(2-methylpyrrolidine-2-carbonyl)amino]butanoate?
The canonical SMILES for methyl (2S,3R)-3-hydroxy-2-[(2-methylpyrrolidine-2-carbonyl)amino]butanoate is COC(=O)[C@@H](NC(=O)C1(C)CCCN1)[C@@H](C)O.
What is the InChIKey of methyl (2S,3R)-3-hydroxy-2-[(2-methylpyrrolidine-2-carbonyl)amino]butanoate?
The InChIKey is QCNXZPMXSKNOIQ-IXIJJPBFSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-7(14)8(9(15)17-3)13-10(16)11(2)5-4-6-12-11/h7-8,12,14H,4-6H2,1-3H3,(H,13,16)/t7-,8+,11?/m1/s1.
What are the key properties of methyl (2S,3R)-3-hydroxy-2-[(2-methylpyrrolidine-2-carbonyl)amino]butanoate?
methyl (2S,3R)-3-hydroxy-2-[(2-methylpyrrolidine-2-carbonyl)amino]butanoate has a molecular weight of 244.29 g/mol, XLogP of -0.83, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S,3R)-3-hydroxy-2-[(2-methylpyrrolidine-2-carbonyl)amino]butanoate is sourced from PubChem (CID 90329982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).