(2S)-2-(pyrrolidine-2-carbonylamino)pentanedioic acid

C10H16N2O5 — CID 61159815

IUPAC(2S)-2-(pyrrolidine-2-carbonylamino)pentanedioic acid
SMILESO=C(O)CC[C@H](NC(=O)C1CCCN1)C(=O)O
InChIInChI=1S/C10H16N2O5/c13-8(14)4-3-7(10(16)17)12-9(15)6-2-1-5-11-6/h6-7,11H,1-5H2,(H,12,15)(H,13,14)(H,16,17)/t6?,7-/m0/s1
InChIKeyQLROSWPKSBORFJ-MLWJPKLSSA-N
MW244.25 g/mol
LogP-0.83
Rot. Bonds6

About (2S)-2-(pyrrolidine-2-carbonylamino)pentanedioic acid

(2S)-2-(pyrrolidine-2-carbonylamino)pentanedioic acid (PubChem CID 61159815) has the molecular formula C10H16N2O5 and a molecular weight of 244.25 g/mol. Its IUPAC name is (2S)-2-(pyrrolidine-2-carbonylamino)pentanedioic acid.

Molecular Properties

Compound Name(2S)-2-(pyrrolidine-2-carbonylamino)pentanedioic acid
PubChem CID61159815
Molecular FormulaC10H16N2O5
Molecular Weight244.25 g/mol
Exact Mass244.11
IUPAC Name(2S)-2-(pyrrolidine-2-carbonylamino)pentanedioic acid
SMILESO=C(O)CC[C@H](NC(=O)C1CCCN1)C(=O)O
InChIInChI=1S/C10H16N2O5/c13-8(14)4-3-7(10(16)17)12-9(15)6-2-1-5-11-6/h6-7,11H,1-5H2,(H,12,15)(H,13,14)(H,16,17)/t6?,7-/m0/s1
InChIKeyQLROSWPKSBORFJ-MLWJPKLSSA-N
XLogP-0.83
TPSA115.73 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 5-0.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[[(2S)-3-hydroxy-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoyl]amino]pentanedioic acid
CID 145457571
(2R)-5-methoxy-5-oxo-2-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoic acid
CID 103870572
4-hydroxy-2-[[(2R)-pyrrolidine-2-carbonyl]amino]butanoic acid
CID 104901043
5-(1-carboxyethylamino)-5-oxo-4-(pyrrolidine-2-carbonylamino)pentanoic acid
CID 18223514
(2R)-5-amino-5-oxo-2-[[(2R)-piperidine-2-carbonyl]amino]pentanoic acid
CID 107830274
2-[[3-carboxy-2-(pyrrolidine-2-carbonylamino)propanoyl]amino]butanedioic acid
CID 18223477
(2S)-5-amino-2-(azepane-2-carbonylamino)-5-oxopentanoic acid
CID 64564036
(2R)-3-hydroxy-2-(pyrrolidine-2-carbonylamino)propanoic acid
CID 80751621
(4S)-5-[[(2S)-4-carboxy-1-[[(1S)-1-carboxy-2-phenylethyl]amino]-1-oxobutan-2-yl]amino]-5-oxo-4-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoic acid
CID 10118825
2-[[(2S)-piperidine-2-carbonyl]amino]pentanoic acid
CID 103869509
5-amino-2-[[3-hydroxy-2-(pyrrolidine-2-carbonylamino)propanoyl]amino]-5-oxopentanoic acid
CID 18223693
(3S)-4-[[(1S)-1-carboxy-2-hydroxyethyl]amino]-4-oxo-3-[[(2S)-pyrrolidine-2-carbonyl]amino]butanoic acid
CID 145457422

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(pyrrolidine-2-carbonylamino)pentanedioic acid?
The IUPAC name of (2S)-2-(pyrrolidine-2-carbonylamino)pentanedioic acid (CID 61159815) is (2S)-2-(pyrrolidine-2-carbonylamino)pentanedioic acid.
What is the SMILES notation for (2S)-2-(pyrrolidine-2-carbonylamino)pentanedioic acid?
The canonical SMILES for (2S)-2-(pyrrolidine-2-carbonylamino)pentanedioic acid is O=C(O)CC[C@H](NC(=O)C1CCCN1)C(=O)O.
What is the InChIKey of (2S)-2-(pyrrolidine-2-carbonylamino)pentanedioic acid?
The InChIKey is QLROSWPKSBORFJ-MLWJPKLSSA-N. The full InChI is InChI=1S/C10H16N2O5/c13-8(14)4-3-7(10(16)17)12-9(15)6-2-1-5-11-6/h6-7,11H,1-5H2,(H,12,15)(H,13,14)(H,16,17)/t6?,7-/m0/s1.
What are the key properties of (2S)-2-(pyrrolidine-2-carbonylamino)pentanedioic acid?
(2S)-2-(pyrrolidine-2-carbonylamino)pentanedioic acid has a molecular weight of 244.25 g/mol, XLogP of -0.83, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(pyrrolidine-2-carbonylamino)pentanedioic acid is sourced from PubChem (CID 61159815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).