1-(1-methoxypropan-2-yl)-5-oxopyrrolidine-3-carboxylic acid;molecular hydrogen

C9H19NO4 — CID 159135385

IUPAC1-(1-methoxypropan-2-yl)-5-oxopyrrolidine-3-carboxylic acid;molecular hydrogen
SMILESCOCC(C)N1CC(C(=O)O)CC1=O.[H][H].[H][H]
InChIInChI=1S/C9H15NO4.2H2/c1-6(5-14-2)10-4-7(9(12)13)3-8(10)11;;/h6-7H,3-5H2,1-2H3,(H,12,13);2*1H
InChIKeyKHKQJQAEZJAYKR-UHFFFAOYSA-N
MW205.25 g/mol
LogP0.45
Rot. Bonds4

About 1-(1-methoxypropan-2-yl)-5-oxopyrrolidine-3-carboxylic acid;molecular hydrogen

1-(1-methoxypropan-2-yl)-5-oxopyrrolidine-3-carboxylic acid;molecular hydrogen (PubChem CID 159135385) has the molecular formula C9H19NO4 and a molecular weight of 205.25 g/mol. Its IUPAC name is 1-(1-methoxypropan-2-yl)-5-oxopyrrolidine-3-carboxylic acid;molecular hydrogen.

Molecular Properties

Compound Name1-(1-methoxypropan-2-yl)-5-oxopyrrolidine-3-carboxylic acid;molecular hydrogen
PubChem CID159135385
Molecular FormulaC9H19NO4
Molecular Weight205.25 g/mol
Exact Mass205.13
IUPAC Name1-(1-methoxypropan-2-yl)-5-oxopyrrolidine-3-carboxylic acid;molecular hydrogen
SMILESCOCC(C)N1CC(C(=O)O)CC1=O.[H][H].[H][H]
InChIInChI=1S/C9H15NO4.2H2/c1-6(5-14-2)10-4-7(9(12)13)3-8(10)11;;/h6-7H,3-5H2,1-2H3,(H,12,13);2*1H
InChIKeyKHKQJQAEZJAYKR-UHFFFAOYSA-N
XLogP0.45
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.25
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-Oxo-1-(propan-2-yl)pyrrolidine-3-carboxylic acid
CID 3151004
1-(Oxan-4-yl)-5-oxopyrrolidine-3-carboxylic acid
CID 43609553
1-Sec-butyl-5-oxopyrrolidine-3-carboxylic acid
CID 4777950
1-(2-Methoxyethyl)-5-oxopyrrolidine-3-carboxylic acid
CID 3146690
1-[2-(Morpholin-4-yl)ethyl]-5-oxopyrrolidine-3-carboxylic acid
CID 16764453
Methyl 5-oxo-1-(propan-2-yl)pyrrolidine-3-carboxylate
CID 20372066
1-(1-Ethylpropyl)-5-oxopyrrolidine-3-carboxylic acid
CID 4778108
1-(1-Methoxypropan-2-yl)-5-oxopyrrolidine-3-carboxylic acid
CID 4777965
Methyl 1-(2-hydroxyethyl)-5-oxopyrrolidine-3-carboxylate
CID 232916
1-(3-Morpholin-4-yl-propyl)-5-oxo-pyrrolidine-3-carboxylic acid
CID 3146691
(3S,4R)-4-(morpholine-4-carbonyl)-1-propan-2-ylpyrrolidine-3-carboxylic acid
CID 110203758
1-(2-Hydroxyethyl)-5-oxopyrrolidine-3-carboxylic acid
CID 198617

Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxypropan-2-yl)-5-oxopyrrolidine-3-carboxylic acid;molecular hydrogen?
The IUPAC name of 1-(1-methoxypropan-2-yl)-5-oxopyrrolidine-3-carboxylic acid;molecular hydrogen (CID 159135385) is 1-(1-methoxypropan-2-yl)-5-oxopyrrolidine-3-carboxylic acid;molecular hydrogen.
What is the SMILES notation for 1-(1-methoxypropan-2-yl)-5-oxopyrrolidine-3-carboxylic acid;molecular hydrogen?
The canonical SMILES for 1-(1-methoxypropan-2-yl)-5-oxopyrrolidine-3-carboxylic acid;molecular hydrogen is COCC(C)N1CC(C(=O)O)CC1=O.[H][H].[H][H].
What is the InChIKey of 1-(1-methoxypropan-2-yl)-5-oxopyrrolidine-3-carboxylic acid;molecular hydrogen?
The InChIKey is KHKQJQAEZJAYKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO4.2H2/c1-6(5-14-2)10-4-7(9(12)13)3-8(10)11;;/h6-7H,3-5H2,1-2H3,(H,12,13);2*1H.
What are the key properties of 1-(1-methoxypropan-2-yl)-5-oxopyrrolidine-3-carboxylic acid;molecular hydrogen?
1-(1-methoxypropan-2-yl)-5-oxopyrrolidine-3-carboxylic acid;molecular hydrogen has a molecular weight of 205.25 g/mol, XLogP of 0.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxypropan-2-yl)-5-oxopyrrolidine-3-carboxylic acid;molecular hydrogen is sourced from PubChem (CID 159135385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).