5-[[(2R)-4-hydroxy-1-[2-(pentanoylamino)acetyl]pyrrolidine-2-carbonyl]amino]pentanoic acid

C17H29N3O6 — CID 54523220

IUPAC5-[[(2R)-4-hydroxy-1-[2-(pentanoylamino)acetyl]pyrrolidine-2-carbonyl]amino]pentanoic acid
SMILESCCCCC(=O)NCC(=O)N1CC(O)C[C@@H]1C(=O)NCCCCC(=O)O
InChIInChI=1S/C17H29N3O6/c1-2-3-6-14(22)19-10-15(23)20-11-12(21)9-13(20)17(26)18-8-5-4-7-16(24)25/h12-13,21H,2-11H2,1H3,(H,18,26)(H,19,22)(H,24,25)/t12?,13-/m1/s1
InChIKeyYRHSSOBMAXYWAX-ZGTCLIOFSA-N
MW371.43 g/mol
LogP-0.37
Rot. Bonds11

About 5-[[(2R)-4-hydroxy-1-[2-(pentanoylamino)acetyl]pyrrolidine-2-carbonyl]amino]pentanoic acid

5-[[(2R)-4-hydroxy-1-[2-(pentanoylamino)acetyl]pyrrolidine-2-carbonyl]amino]pentanoic acid (PubChem CID 54523220) has the molecular formula C17H29N3O6 and a molecular weight of 371.43 g/mol. Its IUPAC name is 5-[[(2R)-4-hydroxy-1-[2-(pentanoylamino)acetyl]pyrrolidine-2-carbonyl]amino]pentanoic acid.

Molecular Properties

Compound Name5-[[(2R)-4-hydroxy-1-[2-(pentanoylamino)acetyl]pyrrolidine-2-carbonyl]amino]pentanoic acid
PubChem CID54523220
Molecular FormulaC17H29N3O6
Molecular Weight371.43 g/mol
Exact Mass371.21
IUPAC Name5-[[(2R)-4-hydroxy-1-[2-(pentanoylamino)acetyl]pyrrolidine-2-carbonyl]amino]pentanoic acid
SMILESCCCCC(=O)NCC(=O)N1CC(O)C[C@@H]1C(=O)NCCCCC(=O)O
InChIInChI=1S/C17H29N3O6/c1-2-3-6-14(22)19-10-15(23)20-11-12(21)9-13(20)17(26)18-8-5-4-7-16(24)25/h12-13,21H,2-11H2,1H3,(H,18,26)(H,19,22)(H,24,25)/t12?,13-/m1/s1
InChIKeyYRHSSOBMAXYWAX-ZGTCLIOFSA-N
XLogP-0.37
TPSA136.04 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.43
LogP ≤ 5-0.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2R,4S)-N-dodecyl-4-hydroxy-1-tetradecanoylpyrrolidine-2-carboxamide
CID 11591557
benzyl 5-[[(2S)-1-[2-(pentanoylamino)acetyl]-4-phenylmethoxypyrrolidine-2-carbonyl]amino]pentanoate
CID 67865847
(4R)-N-butyl-4-hydroxy-1-(4-methylpiperazine-1-carbonyl)pyrrolidine-2-carboxamide
CID 154667437
7-[(3-butanoyl-1,3-thiazolidine-4-carbonyl)amino]heptanoic acid
CID 119227531
N-[6-[(2S)-4-hydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]-6-oxohexyl]pentadecanamide
CID 66701890
1-hexadecanoyl-4-hydroxypyrrolidine-2-carboxylic acid
CID 3925551
(2S)-4-hydroxy-1-icosanoylpyrrolidine-2-carboxylic acid
CID 57258190
1-docosanoyl-4-hydroxypyrrolidine-2-carboxylic acid
CID 78122778
11-(dodecanoylamino)undecanoic acid
CID 4163254
6-(hexylamino)-6-oxohexanoic acid
CID 22448385
6-(butylamino)-6-oxohexanoic acid
CID 43529485
(2S,4R)-1-(butylcarbamoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 27339570

Frequently Asked Questions

What is the IUPAC name of 5-[[(2R)-4-hydroxy-1-[2-(pentanoylamino)acetyl]pyrrolidine-2-carbonyl]amino]pentanoic acid?
The IUPAC name of 5-[[(2R)-4-hydroxy-1-[2-(pentanoylamino)acetyl]pyrrolidine-2-carbonyl]amino]pentanoic acid (CID 54523220) is 5-[[(2R)-4-hydroxy-1-[2-(pentanoylamino)acetyl]pyrrolidine-2-carbonyl]amino]pentanoic acid.
What is the SMILES notation for 5-[[(2R)-4-hydroxy-1-[2-(pentanoylamino)acetyl]pyrrolidine-2-carbonyl]amino]pentanoic acid?
The canonical SMILES for 5-[[(2R)-4-hydroxy-1-[2-(pentanoylamino)acetyl]pyrrolidine-2-carbonyl]amino]pentanoic acid is CCCCC(=O)NCC(=O)N1CC(O)C[C@@H]1C(=O)NCCCCC(=O)O.
What is the InChIKey of 5-[[(2R)-4-hydroxy-1-[2-(pentanoylamino)acetyl]pyrrolidine-2-carbonyl]amino]pentanoic acid?
The InChIKey is YRHSSOBMAXYWAX-ZGTCLIOFSA-N. The full InChI is InChI=1S/C17H29N3O6/c1-2-3-6-14(22)19-10-15(23)20-11-12(21)9-13(20)17(26)18-8-5-4-7-16(24)25/h12-13,21H,2-11H2,1H3,(H,18,26)(H,19,22)(H,24,25)/t12?,13-/m1/s1.
What are the key properties of 5-[[(2R)-4-hydroxy-1-[2-(pentanoylamino)acetyl]pyrrolidine-2-carbonyl]amino]pentanoic acid?
5-[[(2R)-4-hydroxy-1-[2-(pentanoylamino)acetyl]pyrrolidine-2-carbonyl]amino]pentanoic acid has a molecular weight of 371.43 g/mol, XLogP of -0.37, 11 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2R)-4-hydroxy-1-[2-(pentanoylamino)acetyl]pyrrolidine-2-carbonyl]amino]pentanoic acid is sourced from PubChem (CID 54523220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).