(2S)-1-(3-methylbutylcarbamoyl)pyrrolidine-2-carboxylic acid

C11H20N2O3 — CID 28510076

IUPAC(2S)-1-(3-methylbutylcarbamoyl)pyrrolidine-2-carboxylic acid
SMILESCC(C)CCNC(=O)N1CCC[C@H]1C(=O)O
InChIInChI=1S/C11H20N2O3/c1-8(2)5-6-12-11(16)13-7-3-4-9(13)10(14)15/h8-9H,3-7H2,1-2H3,(H,12,16)(H,14,15)/t9-/m0/s1
InChIKeyLWLPAAUUAAXENE-VIFPVBQESA-N
MW228.29 g/mol
LogP1.29
Rot. Bonds4

About (2S)-1-(3-methylbutylcarbamoyl)pyrrolidine-2-carboxylic acid

(2S)-1-(3-methylbutylcarbamoyl)pyrrolidine-2-carboxylic acid (PubChem CID 28510076) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is (2S)-1-(3-methylbutylcarbamoyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-(3-methylbutylcarbamoyl)pyrrolidine-2-carboxylic acid
PubChem CID28510076
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name(2S)-1-(3-methylbutylcarbamoyl)pyrrolidine-2-carboxylic acid
SMILESCC(C)CCNC(=O)N1CCC[C@H]1C(=O)O
InChIInChI=1S/C11H20N2O3/c1-8(2)5-6-12-11(16)13-7-3-4-9(13)10(14)15/h8-9H,3-7H2,1-2H3,(H,12,16)(H,14,15)/t9-/m0/s1
InChIKeyLWLPAAUUAAXENE-VIFPVBQESA-N
XLogP1.29
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-methylhexan-2-ylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 63925924
1-(pentylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 61183075
1-[2-(dimethylamino)ethylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 61188498
(2R)-1-(2-cyclopropylpropylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 104863962
(2S)-1-[2-(diethylamino)ethylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 78967793
(2R)-1-[2-(diethylamino)ethylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 55149866
1-(2-propan-2-yloxyethylcarbamoyl)azepane-2-carboxylic acid
CID 113450642
(2S)-1-(4-methylpentan-2-ylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 61197461
(2S,4S)-4-hydroxy-1-(3-methylbutylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 64714620
(2R)-1-[4-(dimethylamino)butylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 78922567
(2R)-1-[2-(1-methylpiperidin-4-yl)ethylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 104931998
(2S)-1-[2-[ethyl(methyl)amino]ethylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 55097694

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(3-methylbutylcarbamoyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-(3-methylbutylcarbamoyl)pyrrolidine-2-carboxylic acid (CID 28510076) is (2S)-1-(3-methylbutylcarbamoyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-(3-methylbutylcarbamoyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-(3-methylbutylcarbamoyl)pyrrolidine-2-carboxylic acid is CC(C)CCNC(=O)N1CCC[C@H]1C(=O)O.
What is the InChIKey of (2S)-1-(3-methylbutylcarbamoyl)pyrrolidine-2-carboxylic acid?
The InChIKey is LWLPAAUUAAXENE-VIFPVBQESA-N. The full InChI is InChI=1S/C11H20N2O3/c1-8(2)5-6-12-11(16)13-7-3-4-9(13)10(14)15/h8-9H,3-7H2,1-2H3,(H,12,16)(H,14,15)/t9-/m0/s1.
What are the key properties of (2S)-1-(3-methylbutylcarbamoyl)pyrrolidine-2-carboxylic acid?
(2S)-1-(3-methylbutylcarbamoyl)pyrrolidine-2-carboxylic acid has a molecular weight of 228.29 g/mol, XLogP of 1.29, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(3-methylbutylcarbamoyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 28510076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).