(2R)-2-[(2S)-2-amino-3-cyclopentylpropanoyl]-1-ethoxycarbonylpyrrolidine-2-carboxylic acid

C16H26N2O5 — CID 70070089

IUPAC(2R)-2-[(2S)-2-amino-3-cyclopentylpropanoyl]-1-ethoxycarbonylpyrrolidine-2-carboxylic acid
SMILESCCOC(=O)N1CCC[C@]1(C(=O)O)C(=O)[C@@H](N)CC1CCCC1
InChIInChI=1S/C16H26N2O5/c1-2-23-15(22)18-9-5-8-16(18,14(20)21)13(19)12(17)10-11-6-3-4-7-11/h11-12H,2-10,17H2,1H3,(H,20,21)/t12-,16+/m0/s1
InChIKeyMPGNAFFPRVNKIO-BLLLJJGKSA-N
MW326.39 g/mol
LogP1.54
Rot. Bonds6

About (2R)-2-[(2S)-2-amino-3-cyclopentylpropanoyl]-1-ethoxycarbonylpyrrolidine-2-carboxylic acid

(2R)-2-[(2S)-2-amino-3-cyclopentylpropanoyl]-1-ethoxycarbonylpyrrolidine-2-carboxylic acid (PubChem CID 70070089) has the molecular formula C16H26N2O5 and a molecular weight of 326.39 g/mol. Its IUPAC name is (2R)-2-[(2S)-2-amino-3-cyclopentylpropanoyl]-1-ethoxycarbonylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-2-[(2S)-2-amino-3-cyclopentylpropanoyl]-1-ethoxycarbonylpyrrolidine-2-carboxylic acid
PubChem CID70070089
Molecular FormulaC16H26N2O5
Molecular Weight326.39 g/mol
Exact Mass326.18
IUPAC Name(2R)-2-[(2S)-2-amino-3-cyclopentylpropanoyl]-1-ethoxycarbonylpyrrolidine-2-carboxylic acid
SMILESCCOC(=O)N1CCC[C@]1(C(=O)O)C(=O)[C@@H](N)CC1CCCC1
InChIInChI=1S/C16H26N2O5/c1-2-23-15(22)18-9-5-8-16(18,14(20)21)13(19)12(17)10-11-6-3-4-7-11/h11-12H,2-10,17H2,1H3,(H,20,21)/t12-,16+/m0/s1
InChIKeyMPGNAFFPRVNKIO-BLLLJJGKSA-N
XLogP1.54
TPSA109.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.39
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-[(2S)-2-amino-3-cyclopropylpropanoyl]-2-ethylpyrrolidine-2-carboxylic acid
CID 112735416
ethyl (2S)-2-amino-3-cyclohexylpropanoate;hydrochloride
CID 67876797
1-(2-bromoacetyl)-2-ethoxycarbonylpyrrolidine-2-carboxylic acid
CID 70314994
2-(2-amino-3-carboxypropanoyl)-1-(2-amino-3-methylbutanoyl)pyrrolidine-2-carboxylic acid
CID 67312423
ethyl 4-[(2-amino-3-cyclohexylpropanoyl)amino]-4-cyanopiperidine-1-carboxylate;hydrochloride
CID 69415923
ethyl 2-[(2S)-1-(2-amino-3-cyclopentylpropanoyl)pyrrolidin-2-yl]-2-oxoacetate
CID 173252396
methyl 2-[(2-amino-3-cyclohexylpropanoyl)amino]-3-cyclohexylpropanoate
CID 171080468
3-amino-4-cyclohexylbutan-2-one
CID 20668322
tributyl pyrrolidine-1,2,2-tricarboxylate
CID 141414902
2-methylpropyl 4-(2-amino-3-ethoxy-3-oxopropyl)piperidine-1-carboxylate
CID 67123498
2-(2-aminopropanoyl)-1-[(2R)-3-(2-cyclopentylsulfanylethylsulfanyl)-1-ethoxy-1-oxopropan-2-yl]pyrrolidine-2-carboxylic acid
CID 70356495
ethyl 2-amino-3-(1-methylsulfonylpiperidin-3-yl)propanoate
CID 79609481

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2S)-2-amino-3-cyclopentylpropanoyl]-1-ethoxycarbonylpyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-2-[(2S)-2-amino-3-cyclopentylpropanoyl]-1-ethoxycarbonylpyrrolidine-2-carboxylic acid (CID 70070089) is (2R)-2-[(2S)-2-amino-3-cyclopentylpropanoyl]-1-ethoxycarbonylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-2-[(2S)-2-amino-3-cyclopentylpropanoyl]-1-ethoxycarbonylpyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-2-[(2S)-2-amino-3-cyclopentylpropanoyl]-1-ethoxycarbonylpyrrolidine-2-carboxylic acid is CCOC(=O)N1CCC[C@]1(C(=O)O)C(=O)[C@@H](N)CC1CCCC1.
What is the InChIKey of (2R)-2-[(2S)-2-amino-3-cyclopentylpropanoyl]-1-ethoxycarbonylpyrrolidine-2-carboxylic acid?
The InChIKey is MPGNAFFPRVNKIO-BLLLJJGKSA-N. The full InChI is InChI=1S/C16H26N2O5/c1-2-23-15(22)18-9-5-8-16(18,14(20)21)13(19)12(17)10-11-6-3-4-7-11/h11-12H,2-10,17H2,1H3,(H,20,21)/t12-,16+/m0/s1.
What are the key properties of (2R)-2-[(2S)-2-amino-3-cyclopentylpropanoyl]-1-ethoxycarbonylpyrrolidine-2-carboxylic acid?
(2R)-2-[(2S)-2-amino-3-cyclopentylpropanoyl]-1-ethoxycarbonylpyrrolidine-2-carboxylic acid has a molecular weight of 326.39 g/mol, XLogP of 1.54, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2S)-2-amino-3-cyclopentylpropanoyl]-1-ethoxycarbonylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 70070089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).