(2R)-5-methoxy-2-[(2-methylpyrrolidine-2-carbonyl)amino]-5-oxopentanoic acid

C12H20N2O5 — CID 103870614

IUPAC(2R)-5-methoxy-2-[(2-methylpyrrolidine-2-carbonyl)amino]-5-oxopentanoic acid
SMILESCOC(=O)CC[C@@H](NC(=O)C1(C)CCCN1)C(=O)O
InChIInChI=1S/C12H20N2O5/c1-12(6-3-7-13-12)11(18)14-8(10(16)17)4-5-9(15)19-2/h8,13H,3-7H2,1-2H3,(H,14,18)(H,16,17)/t8-,12?/m1/s1
InChIKeyYGXGGNXATNSUOA-SZSXPDSJSA-N
MW272.30 g/mol
LogP-0.35
Rot. Bonds6

About (2R)-5-methoxy-2-[(2-methylpyrrolidine-2-carbonyl)amino]-5-oxopentanoic acid

(2R)-5-methoxy-2-[(2-methylpyrrolidine-2-carbonyl)amino]-5-oxopentanoic acid (PubChem CID 103870614) has the molecular formula C12H20N2O5 and a molecular weight of 272.30 g/mol. Its IUPAC name is (2R)-5-methoxy-2-[(2-methylpyrrolidine-2-carbonyl)amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name(2R)-5-methoxy-2-[(2-methylpyrrolidine-2-carbonyl)amino]-5-oxopentanoic acid
PubChem CID103870614
Molecular FormulaC12H20N2O5
Molecular Weight272.30 g/mol
Exact Mass272.14
IUPAC Name(2R)-5-methoxy-2-[(2-methylpyrrolidine-2-carbonyl)amino]-5-oxopentanoic acid
SMILESCOC(=O)CC[C@@H](NC(=O)C1(C)CCCN1)C(=O)O
InChIInChI=1S/C12H20N2O5/c1-12(6-3-7-13-12)11(18)14-8(10(16)17)4-5-9(15)19-2/h8,13H,3-7H2,1-2H3,(H,14,18)(H,16,17)/t8-,12?/m1/s1
InChIKeyYGXGGNXATNSUOA-SZSXPDSJSA-N
XLogP-0.35
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 5-0.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-5-methoxy-2-[(2-methylpiperidine-2-carbonyl)amino]-5-oxopentanoic acid
CID 107824378
(2S)-5-amino-2-[(2-methylpiperidine-2-carbonyl)amino]-5-oxopentanoic acid
CID 104596611
5-methoxy-2-[(2-methylpiperidine-2-carbonyl)amino]pentanoic acid
CID 104597036
(2S)-4-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpyrrolidine-2-carbonyl)amino]-4-oxobutanoic acid
CID 82813014
(2S)-3-hydroxy-2-[(2-methylpiperidine-2-carbonyl)amino]propanoic acid
CID 104596612
N-(4-methoxybutan-2-yl)-2-methylpyrrolidine-2-carboxamide
CID 64605467
(2R)-5-methoxy-2-[(1-methylcyclopentyl)carbamoylamino]-5-oxopentanoic acid
CID 107828105
(2R)-2-[(3,3-dimethylpyrrolidine-1-carbonyl)amino]-5-methoxy-5-oxopentanoic acid
CID 107828378
(2R)-5-methoxy-5-oxo-2-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoic acid
CID 103870572
2-[[2-(1-aminocyclobutyl)acetyl]amino]-5-methoxy-5-oxopentanoic acid
CID 82786524
methyl (2S,3R)-3-hydroxy-2-[(2-methylpyrrolidine-2-carbonyl)amino]butanoate
CID 90329982
2-(bicyclo[4.1.0]heptane-7-carbonylamino)-5-methoxy-5-oxopentanoic acid
CID 82786592

Frequently Asked Questions

What is the IUPAC name of (2R)-5-methoxy-2-[(2-methylpyrrolidine-2-carbonyl)amino]-5-oxopentanoic acid?
The IUPAC name of (2R)-5-methoxy-2-[(2-methylpyrrolidine-2-carbonyl)amino]-5-oxopentanoic acid (CID 103870614) is (2R)-5-methoxy-2-[(2-methylpyrrolidine-2-carbonyl)amino]-5-oxopentanoic acid.
What is the SMILES notation for (2R)-5-methoxy-2-[(2-methylpyrrolidine-2-carbonyl)amino]-5-oxopentanoic acid?
The canonical SMILES for (2R)-5-methoxy-2-[(2-methylpyrrolidine-2-carbonyl)amino]-5-oxopentanoic acid is COC(=O)CC[C@@H](NC(=O)C1(C)CCCN1)C(=O)O.
What is the InChIKey of (2R)-5-methoxy-2-[(2-methylpyrrolidine-2-carbonyl)amino]-5-oxopentanoic acid?
The InChIKey is YGXGGNXATNSUOA-SZSXPDSJSA-N. The full InChI is InChI=1S/C12H20N2O5/c1-12(6-3-7-13-12)11(18)14-8(10(16)17)4-5-9(15)19-2/h8,13H,3-7H2,1-2H3,(H,14,18)(H,16,17)/t8-,12?/m1/s1.
What are the key properties of (2R)-5-methoxy-2-[(2-methylpyrrolidine-2-carbonyl)amino]-5-oxopentanoic acid?
(2R)-5-methoxy-2-[(2-methylpyrrolidine-2-carbonyl)amino]-5-oxopentanoic acid has a molecular weight of 272.30 g/mol, XLogP of -0.35, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-methoxy-2-[(2-methylpyrrolidine-2-carbonyl)amino]-5-oxopentanoic acid is sourced from PubChem (CID 103870614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).