[(2S,3R)-3-methoxy-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]carbamic acid

C10H18N2O4 — CID 67773085

IUPAC[(2S,3R)-3-methoxy-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]carbamic acid
SMILESCO[C@H](C)[C@H](NC(=O)O)C(=O)N1CCCC1
InChIInChI=1S/C10H18N2O4/c1-7(16-2)8(11-10(14)15)9(13)12-5-3-4-6-12/h7-8,11H,3-6H2,1-2H3,(H,14,15)/t7-,8+/m1/s1
InChIKeyCHAZTRCGRUARGS-SFYZADRCSA-N
MW230.26 g/mol
LogP0.28
Rot. Bonds4

About [(2S,3R)-3-methoxy-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]carbamic acid

[(2S,3R)-3-methoxy-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]carbamic acid (PubChem CID 67773085) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is [(2S,3R)-3-methoxy-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]carbamic acid.

Molecular Properties

Compound Name[(2S,3R)-3-methoxy-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]carbamic acid
PubChem CID67773085
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Name[(2S,3R)-3-methoxy-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]carbamic acid
SMILESCO[C@H](C)[C@H](NC(=O)O)C(=O)N1CCCC1
InChIInChI=1S/C10H18N2O4/c1-7(16-2)8(11-10(14)15)9(13)12-5-3-4-6-12/h7-8,11H,3-6H2,1-2H3,(H,14,15)/t7-,8+/m1/s1
InChIKeyCHAZTRCGRUARGS-SFYZADRCSA-N
XLogP0.28
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

O-Methyl-L-threonyl-O-methyl-L-threonine
CID 54533098
3-Hydroxy-2-methylamino-1-pyrrolidin-1-yl-butan-1-one
CID 118719173
Thr-Ala-Ala
CID 71728352
Thr-Pro-Gly
CID 11990215
Thr-Pro-Ser
CID 25059234
Thr-Gly-Ala
CID 51038179
tert-butyl N-[(2S,3R)-1-[(2S,4S)-2-carbamoyl-4-fluoropyrrolidin-1-yl]-3-methoxy-1-oxobutan-2-yl]carbamate
CID 69352818
Ala-Thr-Ala
CID 88082774
Ala-Thr-Gly
CID 100953040
Gly-Thr-Ala
CID 145455689
Ser-Thr-Ala
CID 145457877
Ser-Thr-Gly
CID 145457882

Frequently Asked Questions

What is the IUPAC name of [(2S,3R)-3-methoxy-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]carbamic acid?
The IUPAC name of [(2S,3R)-3-methoxy-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]carbamic acid (CID 67773085) is [(2S,3R)-3-methoxy-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]carbamic acid.
What is the SMILES notation for [(2S,3R)-3-methoxy-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]carbamic acid?
The canonical SMILES for [(2S,3R)-3-methoxy-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]carbamic acid is CO[C@H](C)[C@H](NC(=O)O)C(=O)N1CCCC1.
What is the InChIKey of [(2S,3R)-3-methoxy-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]carbamic acid?
The InChIKey is CHAZTRCGRUARGS-SFYZADRCSA-N. The full InChI is InChI=1S/C10H18N2O4/c1-7(16-2)8(11-10(14)15)9(13)12-5-3-4-6-12/h7-8,11H,3-6H2,1-2H3,(H,14,15)/t7-,8+/m1/s1.
What are the key properties of [(2S,3R)-3-methoxy-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]carbamic acid?
[(2S,3R)-3-methoxy-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]carbamic acid has a molecular weight of 230.26 g/mol, XLogP of 0.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R)-3-methoxy-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]carbamic acid is sourced from PubChem (CID 67773085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).