3-[1-[(2S)-2-aminopentanoyl]pyrrolidin-3-yl]propanoic acid

C12H22N2O3 — CID 103870649

IUPAC3-[1-[(2S)-2-aminopentanoyl]pyrrolidin-3-yl]propanoic acid
SMILESCCC[C@H](N)C(=O)N1CCC(CCC(=O)O)C1
InChIInChI=1S/C12H22N2O3/c1-2-3-10(13)12(17)14-7-6-9(8-14)4-5-11(15)16/h9-10H,2-8,13H2,1H3,(H,15,16)/t9?,10-/m0/s1
InChIKeyBKOXMNNZONFNRV-AXDSSHIGSA-N
MW242.32 g/mol
LogP0.83
Rot. Bonds6

About 3-[1-[(2S)-2-aminopentanoyl]pyrrolidin-3-yl]propanoic acid

3-[1-[(2S)-2-aminopentanoyl]pyrrolidin-3-yl]propanoic acid (PubChem CID 103870649) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 3-[1-[(2S)-2-aminopentanoyl]pyrrolidin-3-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-[(2S)-2-aminopentanoyl]pyrrolidin-3-yl]propanoic acid
PubChem CID103870649
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name3-[1-[(2S)-2-aminopentanoyl]pyrrolidin-3-yl]propanoic acid
SMILESCCC[C@H](N)C(=O)N1CCC(CCC(=O)O)C1
InChIInChI=1S/C12H22N2O3/c1-2-3-10(13)12(17)14-7-6-9(8-14)4-5-11(15)16/h9-10H,2-8,13H2,1H3,(H,15,16)/t9?,10-/m0/s1
InChIKeyBKOXMNNZONFNRV-AXDSSHIGSA-N
XLogP0.83
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-5-oxo-5-(3-propylpyrrolidin-1-yl)pentanoic acid
CID 113417412
2-amino-1-[3-(hydroxymethyl)pyrrolidin-1-yl]pentan-1-one
CID 112624987
2-amino-1-(3-propylpyrrolidin-1-yl)butan-1-one
CID 115734204
2-amino-1-(3-propylpiperidin-1-yl)pentan-1-one;hydrochloride
CID 119337251
2-amino-1-[3-(2-methylpropyl)pyrrolidin-1-yl]pentan-1-one;hydrochloride
CID 119322626
1-[(2R)-2-aminopentanoyl]pyrrolidine-3-carboxylic acid
CID 103848580
3-[1-[(2S)-2-amino-4-methylpentanoyl]piperidin-4-yl]propanoic acid
CID 62215529
1-[(2R)-2-aminopentanoyl]-3-methylpiperidine-4-carboxylic acid
CID 114278530
3-[1-(2,4-diamino-4-oxobutanoyl)piperidin-4-yl]propanoic acid
CID 62215546
3-[1-(3-amino-2-methylpropanoyl)piperidin-3-yl]propanoic acid
CID 62669121
4-amino-5-(4-ethylazepan-1-yl)-5-oxopentanoic acid
CID 64890724
2-[1-[(2S)-2-aminohexanoyl]piperidin-4-yl]acetic acid
CID 107145977

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(2S)-2-aminopentanoyl]pyrrolidin-3-yl]propanoic acid?
The IUPAC name of 3-[1-[(2S)-2-aminopentanoyl]pyrrolidin-3-yl]propanoic acid (CID 103870649) is 3-[1-[(2S)-2-aminopentanoyl]pyrrolidin-3-yl]propanoic acid.
What is the SMILES notation for 3-[1-[(2S)-2-aminopentanoyl]pyrrolidin-3-yl]propanoic acid?
The canonical SMILES for 3-[1-[(2S)-2-aminopentanoyl]pyrrolidin-3-yl]propanoic acid is CCC[C@H](N)C(=O)N1CCC(CCC(=O)O)C1.
What is the InChIKey of 3-[1-[(2S)-2-aminopentanoyl]pyrrolidin-3-yl]propanoic acid?
The InChIKey is BKOXMNNZONFNRV-AXDSSHIGSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-2-3-10(13)12(17)14-7-6-9(8-14)4-5-11(15)16/h9-10H,2-8,13H2,1H3,(H,15,16)/t9?,10-/m0/s1.
What are the key properties of 3-[1-[(2S)-2-aminopentanoyl]pyrrolidin-3-yl]propanoic acid?
3-[1-[(2S)-2-aminopentanoyl]pyrrolidin-3-yl]propanoic acid has a molecular weight of 242.32 g/mol, XLogP of 0.83, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(2S)-2-aminopentanoyl]pyrrolidin-3-yl]propanoic acid is sourced from PubChem (CID 103870649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).