(2R)-5-methoxy-5-oxo-2-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoic acid

C11H18N2O5 — CID 103870572

IUPAC(2R)-5-methoxy-5-oxo-2-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoic acid
SMILESCOC(=O)CC[C@@H](NC(=O)[C@@H]1CCCN1)C(=O)O
InChIInChI=1S/C11H18N2O5/c1-18-9(14)5-4-8(11(16)17)13-10(15)7-3-2-6-12-7/h7-8,12H,2-6H2,1H3,(H,13,15)(H,16,17)/t7-,8+/m0/s1
InChIKeyYYNHHCRSPXNTLZ-JGVFFNPUSA-N
MW258.27 g/mol
LogP-0.74
Rot. Bonds6

About (2R)-5-methoxy-5-oxo-2-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoic acid

(2R)-5-methoxy-5-oxo-2-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoic acid (PubChem CID 103870572) has the molecular formula C11H18N2O5 and a molecular weight of 258.27 g/mol. Its IUPAC name is (2R)-5-methoxy-5-oxo-2-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoic acid.

Molecular Properties

Compound Name(2R)-5-methoxy-5-oxo-2-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoic acid
PubChem CID103870572
Molecular FormulaC11H18N2O5
Molecular Weight258.27 g/mol
Exact Mass258.12
IUPAC Name(2R)-5-methoxy-5-oxo-2-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoic acid
SMILESCOC(=O)CC[C@@H](NC(=O)[C@@H]1CCCN1)C(=O)O
InChIInChI=1S/C11H18N2O5/c1-18-9(14)5-4-8(11(16)17)13-10(15)7-3-2-6-12-7/h7-8,12H,2-6H2,1H3,(H,13,15)(H,16,17)/t7-,8+/m0/s1
InChIKeyYYNHHCRSPXNTLZ-JGVFFNPUSA-N
XLogP-0.74
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 5-0.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2R)-5-methoxy-5-oxo-2-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoic acid with MolForge

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Related Compounds

(2S)-2-(pyrrolidine-2-carbonylamino)pentanedioic acid
CID 61159815
(2R)-5-methoxy-2-[(3-methylpiperidine-2-carbonyl)amino]-5-oxopentanoic acid
CID 107824348
4-hydroxy-2-[[(2R)-pyrrolidine-2-carbonyl]amino]butanoic acid
CID 104901043
(2R)-5-amino-5-oxo-2-[[(2R)-piperidine-2-carbonyl]amino]pentanoic acid
CID 107830274
2-[[(2S)-piperidine-2-carbonyl]amino]pentanoic acid
CID 103869509
(2S)-4-methylsulfanyl-2-[[(2S)-pyrrolidine-2-carbonyl]amino]butanoic acid;hydrate
CID 71408310
(2S)-5-amino-2-(azepane-2-carbonylamino)-5-oxopentanoic acid
CID 64564036
(2R)-5-methoxy-5-oxo-2-(1,3-thiazolidine-4-carbonylamino)pentanoic acid
CID 107824460
(2R)-3-hydroxy-2-(pyrrolidine-2-carbonylamino)propanoic acid
CID 80751621
(2S)-2-[[(2S)-3-hydroxy-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoyl]amino]pentanedioic acid
CID 145457571
2-(bicyclo[4.1.0]heptane-7-carbonylamino)-5-methoxy-5-oxopentanoic acid
CID 82786592
5-amino-2-[[3-hydroxy-2-(pyrrolidine-2-carbonylamino)propanoyl]amino]-5-oxopentanoic acid
CID 18223693

Frequently Asked Questions

What is the IUPAC name of (2R)-5-methoxy-5-oxo-2-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoic acid?
The IUPAC name of (2R)-5-methoxy-5-oxo-2-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoic acid (CID 103870572) is (2R)-5-methoxy-5-oxo-2-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoic acid.
What is the SMILES notation for (2R)-5-methoxy-5-oxo-2-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoic acid?
The canonical SMILES for (2R)-5-methoxy-5-oxo-2-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoic acid is COC(=O)CC[C@@H](NC(=O)[C@@H]1CCCN1)C(=O)O.
What is the InChIKey of (2R)-5-methoxy-5-oxo-2-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoic acid?
The InChIKey is YYNHHCRSPXNTLZ-JGVFFNPUSA-N. The full InChI is InChI=1S/C11H18N2O5/c1-18-9(14)5-4-8(11(16)17)13-10(15)7-3-2-6-12-7/h7-8,12H,2-6H2,1H3,(H,13,15)(H,16,17)/t7-,8+/m0/s1.
What are the key properties of (2R)-5-methoxy-5-oxo-2-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoic acid?
(2R)-5-methoxy-5-oxo-2-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoic acid has a molecular weight of 258.27 g/mol, XLogP of -0.74, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-methoxy-5-oxo-2-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoic acid is sourced from PubChem (CID 103870572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).