(2R)-2-[2-[(1-methoxy-4-methyl-1-oxopentan-2-yl)amino]ethyl]pyrrolidine-1,2-dicarboxylic acid

C15H26N2O6 — CID 67916668

IUPAC(2R)-2-[2-[(1-methoxy-4-methyl-1-oxopentan-2-yl)amino]ethyl]pyrrolidine-1,2-dicarboxylic acid
SMILESCOC(=O)C(CC(C)C)NCC[C@@]1(C(=O)O)CCCN1C(=O)O
InChIInChI=1S/C15H26N2O6/c1-10(2)9-11(12(18)23-3)16-7-6-15(13(19)20)5-4-8-17(15)14(21)22/h10-11,16H,4-9H2,1-3H3,(H,19,20)(H,21,22)/t11?,15-/m1/s1
InChIKeyICTFDKZRDZNZCT-JOPIAHFSSA-N
MW330.38 g/mol
LogP1.15
Rot. Bonds8

About (2R)-2-[2-[(1-methoxy-4-methyl-1-oxopentan-2-yl)amino]ethyl]pyrrolidine-1,2-dicarboxylic acid

(2R)-2-[2-[(1-methoxy-4-methyl-1-oxopentan-2-yl)amino]ethyl]pyrrolidine-1,2-dicarboxylic acid (PubChem CID 67916668) has the molecular formula C15H26N2O6 and a molecular weight of 330.38 g/mol. Its IUPAC name is (2R)-2-[2-[(1-methoxy-4-methyl-1-oxopentan-2-yl)amino]ethyl]pyrrolidine-1,2-dicarboxylic acid.

Molecular Properties

Compound Name(2R)-2-[2-[(1-methoxy-4-methyl-1-oxopentan-2-yl)amino]ethyl]pyrrolidine-1,2-dicarboxylic acid
PubChem CID67916668
Molecular FormulaC15H26N2O6
Molecular Weight330.38 g/mol
Exact Mass330.18
IUPAC Name(2R)-2-[2-[(1-methoxy-4-methyl-1-oxopentan-2-yl)amino]ethyl]pyrrolidine-1,2-dicarboxylic acid
SMILESCOC(=O)C(CC(C)C)NCC[C@@]1(C(=O)O)CCCN1C(=O)O
InChIInChI=1S/C15H26N2O6/c1-10(2)9-11(12(18)23-3)16-7-6-15(13(19)20)5-4-8-17(15)14(21)22/h10-11,16H,4-9H2,1-3H3,(H,19,20)(H,21,22)/t11?,15-/m1/s1
InChIKeyICTFDKZRDZNZCT-JOPIAHFSSA-N
XLogP1.15
TPSA116.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2R)-2-[2-[(1-methoxy-4-methyl-1-oxopentan-2-yl)amino]ethyl]pyrrolidine-1,2-dicarboxylic acid with MolForge

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Related Compounds

(2S)-2-[2-[[(2S)-1-methoxy-4-methyl-1-oxopentan-2-yl]amino]ethyl]-1-phenylmethoxycarbonylpiperidine-2-carboxylic acid
CID 67916737
(2R)-2-(3-hydroxypropyl)pyrrolidine-1,2-dicarboxylic acid
CID 68708136
1-[2-(aminomethyl)-4-methylpentanoyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106976004
1-(4-methylpentan-2-ylcarbamoyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106978225
(2R)-2-ethylpyrrolidine-1,2-dicarboxylic acid
CID 91369752
2-butyl-2-methoxycarbonylpyrrolidine-1-carboxylic acid
CID 142762998
2-propylpiperidine-1,2-dicarboxylic acid
CID 90772513
1-[4-(propan-2-ylamino)butanoyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106976023
methyl 2-[2-(5,5-dimethyl-1,3-dioxan-2-yl)ethylamino]-4-methylpentanoate
CID 74317065
1-[3-(aminomethyl)-5-methylhexanoyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106976053
(2R)-2-[(dimethylamino)methyl]pyrrolidine-1,2-dicarboxylic acid
CID 57420331
methyl 4-methyl-2-[[4-(methylamino)-4-oxobutyl]amino]pentanoate
CID 63892059

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[2-[(1-methoxy-4-methyl-1-oxopentan-2-yl)amino]ethyl]pyrrolidine-1,2-dicarboxylic acid?
The IUPAC name of (2R)-2-[2-[(1-methoxy-4-methyl-1-oxopentan-2-yl)amino]ethyl]pyrrolidine-1,2-dicarboxylic acid (CID 67916668) is (2R)-2-[2-[(1-methoxy-4-methyl-1-oxopentan-2-yl)amino]ethyl]pyrrolidine-1,2-dicarboxylic acid.
What is the SMILES notation for (2R)-2-[2-[(1-methoxy-4-methyl-1-oxopentan-2-yl)amino]ethyl]pyrrolidine-1,2-dicarboxylic acid?
The canonical SMILES for (2R)-2-[2-[(1-methoxy-4-methyl-1-oxopentan-2-yl)amino]ethyl]pyrrolidine-1,2-dicarboxylic acid is COC(=O)C(CC(C)C)NCC[C@@]1(C(=O)O)CCCN1C(=O)O.
What is the InChIKey of (2R)-2-[2-[(1-methoxy-4-methyl-1-oxopentan-2-yl)amino]ethyl]pyrrolidine-1,2-dicarboxylic acid?
The InChIKey is ICTFDKZRDZNZCT-JOPIAHFSSA-N. The full InChI is InChI=1S/C15H26N2O6/c1-10(2)9-11(12(18)23-3)16-7-6-15(13(19)20)5-4-8-17(15)14(21)22/h10-11,16H,4-9H2,1-3H3,(H,19,20)(H,21,22)/t11?,15-/m1/s1.
What are the key properties of (2R)-2-[2-[(1-methoxy-4-methyl-1-oxopentan-2-yl)amino]ethyl]pyrrolidine-1,2-dicarboxylic acid?
(2R)-2-[2-[(1-methoxy-4-methyl-1-oxopentan-2-yl)amino]ethyl]pyrrolidine-1,2-dicarboxylic acid has a molecular weight of 330.38 g/mol, XLogP of 1.15, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[2-[(1-methoxy-4-methyl-1-oxopentan-2-yl)amino]ethyl]pyrrolidine-1,2-dicarboxylic acid is sourced from PubChem (CID 67916668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).