1-[(2S)-2-aminopentanoyl]-4-methoxypyrrolidine-2-carboxylic acid

C11H20N2O4 — CID 107569128

IUPAC1-[(2S)-2-aminopentanoyl]-4-methoxypyrrolidine-2-carboxylic acid
SMILESCCC[C@H](N)C(=O)N1CC(OC)CC1C(=O)O
InChIInChI=1S/C11H20N2O4/c1-3-4-8(12)10(14)13-6-7(17-2)5-9(13)11(15)16/h7-9H,3-6,12H2,1-2H3,(H,15,16)/t7?,8-,9?/m0/s1
InChIKeyGWIGSENBVZMVMV-MGURRDGZSA-N
MW244.29 g/mol
LogP-0.19
Rot. Bonds5

About 1-[(2S)-2-aminopentanoyl]-4-methoxypyrrolidine-2-carboxylic acid

1-[(2S)-2-aminopentanoyl]-4-methoxypyrrolidine-2-carboxylic acid (PubChem CID 107569128) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is 1-[(2S)-2-aminopentanoyl]-4-methoxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(2S)-2-aminopentanoyl]-4-methoxypyrrolidine-2-carboxylic acid
PubChem CID107569128
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Name1-[(2S)-2-aminopentanoyl]-4-methoxypyrrolidine-2-carboxylic acid
SMILESCCC[C@H](N)C(=O)N1CC(OC)CC1C(=O)O
InChIInChI=1S/C11H20N2O4/c1-3-4-8(12)10(14)13-6-7(17-2)5-9(13)11(15)16/h7-9H,3-6,12H2,1-2H3,(H,15,16)/t7?,8-,9?/m0/s1
InChIKeyGWIGSENBVZMVMV-MGURRDGZSA-N
XLogP-0.19
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-aminohexanoyl)-4-methoxypyrrolidine-2-carboxylic acid
CID 61159250
1-[(2S)-2-aminopropanoyl]-4-methoxypyrrolidine-2-carboxylic acid
CID 61159404
(2S,4R)-1-[(2S)-2-aminopropanoyl]-4-methoxypyrrolidine-2-carboxylic acid
CID 22822683
(2R,4S)-4-methoxy-1-[2-(sulfanylmethyl)butanoyl]pyrrolidine-2-carboxylic acid
CID 22819396
4-methoxy-1-(2-methylsulfanylpropanoyl)pyrrolidine-2-carboxylic acid
CID 115923907
4-methoxy-1-nonanoylpyrrolidine-2-carboxylic acid
CID 43359772
(2S,4R)-1-(2-amino-4-methoxybutanoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 55259781
(2S,4S)-4-methoxy-1-[3,3,3-trifluoro-2-(sulfanylmethyl)propanoyl]pyrrolidine-2-carboxylic acid
CID 54204753
1-[3-(aminomethyl)pentanoyl]-4-methoxypyrrolidine-2-carboxylic acid
CID 81086647
(2S,4R)-1-(2-amino-3-methoxypropanoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 81088680
4-methoxy-1-(2,2,2-trifluoroethoxycarbonyl)pyrrolidine-2-carboxylic acid
CID 61170397
4-[(2R)-2-aminopentanoyl]thiomorpholine-3-carboxylic acid
CID 107570416

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-aminopentanoyl]-4-methoxypyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[(2S)-2-aminopentanoyl]-4-methoxypyrrolidine-2-carboxylic acid (CID 107569128) is 1-[(2S)-2-aminopentanoyl]-4-methoxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[(2S)-2-aminopentanoyl]-4-methoxypyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[(2S)-2-aminopentanoyl]-4-methoxypyrrolidine-2-carboxylic acid is CCC[C@H](N)C(=O)N1CC(OC)CC1C(=O)O.
What is the InChIKey of 1-[(2S)-2-aminopentanoyl]-4-methoxypyrrolidine-2-carboxylic acid?
The InChIKey is GWIGSENBVZMVMV-MGURRDGZSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-3-4-8(12)10(14)13-6-7(17-2)5-9(13)11(15)16/h7-9H,3-6,12H2,1-2H3,(H,15,16)/t7?,8-,9?/m0/s1.
What are the key properties of 1-[(2S)-2-aminopentanoyl]-4-methoxypyrrolidine-2-carboxylic acid?
1-[(2S)-2-aminopentanoyl]-4-methoxypyrrolidine-2-carboxylic acid has a molecular weight of 244.29 g/mol, XLogP of -0.19, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-aminopentanoyl]-4-methoxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 107569128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).