(2R)-5-amino-5-oxo-2-(pyrrolidine-3-carbonylamino)pentanoic acid

C10H17N3O4 — CID 114006040

IUPAC(2R)-5-amino-5-oxo-2-(pyrrolidine-3-carbonylamino)pentanoic acid
SMILESNC(=O)CC[C@@H](NC(=O)C1CCNC1)C(=O)O
InChIInChI=1S/C10H17N3O4/c11-8(14)2-1-7(10(16)17)13-9(15)6-3-4-12-5-6/h6-7,12H,1-5H2,(H2,11,14)(H,13,15)(H,16,17)/t6?,7-/m1/s1
InChIKeyYDCGFRMOZXFPQQ-COBSHVIPSA-N
MW243.26 g/mol
LogP-1.57
Rot. Bonds6

About (2R)-5-amino-5-oxo-2-(pyrrolidine-3-carbonylamino)pentanoic acid

(2R)-5-amino-5-oxo-2-(pyrrolidine-3-carbonylamino)pentanoic acid (PubChem CID 114006040) has the molecular formula C10H17N3O4 and a molecular weight of 243.26 g/mol. Its IUPAC name is (2R)-5-amino-5-oxo-2-(pyrrolidine-3-carbonylamino)pentanoic acid.

Molecular Properties

Compound Name(2R)-5-amino-5-oxo-2-(pyrrolidine-3-carbonylamino)pentanoic acid
PubChem CID114006040
Molecular FormulaC10H17N3O4
Molecular Weight243.26 g/mol
Exact Mass243.12
IUPAC Name(2R)-5-amino-5-oxo-2-(pyrrolidine-3-carbonylamino)pentanoic acid
SMILESNC(=O)CC[C@@H](NC(=O)C1CCNC1)C(=O)O
InChIInChI=1S/C10H17N3O4/c11-8(14)2-1-7(10(16)17)13-9(15)6-3-4-12-5-6/h6-7,12H,1-5H2,(H2,11,14)(H,13,15)(H,16,17)/t6?,7-/m1/s1
InChIKeyYDCGFRMOZXFPQQ-COBSHVIPSA-N
XLogP-1.57
TPSA121.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 5-1.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-5-oxo-2-(piperidine-3-carbonylamino)pentanoic acid
CID 61157039
(2R)-4-hydroxy-2-(pyrrolidine-3-carbonylamino)butanoic acid
CID 107825270
(2S)-5-methoxy-5-oxo-2-(pyrrolidine-3-carbonylamino)pentanoic acid
CID 114005134
(2S)-2-(pyrrolidine-3-carbonylamino)hexanoic acid
CID 107146972
(2S)-5-amino-5-oxo-2-[(6-oxopiperidine-3-carbonyl)amino]pentanoic acid
CID 83191997
(2S)-5-amino-5-oxo-2-[(2-piperidin-4-ylacetyl)amino]pentanoic acid
CID 61160975
5-amino-2-(cyclopent-3-ene-1-carbonylamino)-5-oxopentanoic acid
CID 64766554
(2S)-4-hydroxy-2-[[(3S)-piperidine-3-carbonyl]amino]butanoic acid
CID 107824929
(2S)-2-[(1-acetylpiperidine-4-carbonyl)amino]-5-amino-5-oxopentanoic acid
CID 61144342
(2S)-2-[[(3S)-piperidine-3-carbonyl]amino]pentanoic acid
CID 107565163
(2S)-5-amino-2-[[(3S,4S)-4-methylpyrrolidine-3-carbonyl]amino]-5-oxopentanoic acid
CID 98541910
(2R)-5-amino-5-oxo-2-[[(2R)-piperidine-2-carbonyl]amino]pentanoic acid
CID 107830274

Frequently Asked Questions

What is the IUPAC name of (2R)-5-amino-5-oxo-2-(pyrrolidine-3-carbonylamino)pentanoic acid?
The IUPAC name of (2R)-5-amino-5-oxo-2-(pyrrolidine-3-carbonylamino)pentanoic acid (CID 114006040) is (2R)-5-amino-5-oxo-2-(pyrrolidine-3-carbonylamino)pentanoic acid.
What is the SMILES notation for (2R)-5-amino-5-oxo-2-(pyrrolidine-3-carbonylamino)pentanoic acid?
The canonical SMILES for (2R)-5-amino-5-oxo-2-(pyrrolidine-3-carbonylamino)pentanoic acid is NC(=O)CC[C@@H](NC(=O)C1CCNC1)C(=O)O.
What is the InChIKey of (2R)-5-amino-5-oxo-2-(pyrrolidine-3-carbonylamino)pentanoic acid?
The InChIKey is YDCGFRMOZXFPQQ-COBSHVIPSA-N. The full InChI is InChI=1S/C10H17N3O4/c11-8(14)2-1-7(10(16)17)13-9(15)6-3-4-12-5-6/h6-7,12H,1-5H2,(H2,11,14)(H,13,15)(H,16,17)/t6?,7-/m1/s1.
What are the key properties of (2R)-5-amino-5-oxo-2-(pyrrolidine-3-carbonylamino)pentanoic acid?
(2R)-5-amino-5-oxo-2-(pyrrolidine-3-carbonylamino)pentanoic acid has a molecular weight of 243.26 g/mol, XLogP of -1.57, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-amino-5-oxo-2-(pyrrolidine-3-carbonylamino)pentanoic acid is sourced from PubChem (CID 114006040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).