(2S)-1-[2-(dicyclopropylmethylamino)-2-oxoethyl]pyrrolidine-2-carboxylic acid;hydrochloride

C14H23ClN2O3 — CID 119910676

IUPAC(2S)-1-[2-(dicyclopropylmethylamino)-2-oxoethyl]pyrrolidine-2-carboxylic acid;hydrochloride
SMILESCl.O=C(CN1CCC[C@H]1C(=O)O)NC(C1CC1)C1CC1
InChIInChI=1S/C14H22N2O3.ClH/c17-12(8-16-7-1-2-11(16)14(18)19)15-13(9-3-4-9)10-5-6-10;/h9-11,13H,1-8H2,(H,15,17)(H,18,19);1H/t11-;/m0./s1
InChIKeyDXZIXVNPOKWLEQ-MERQFXBCSA-N
MW302.80 g/mol
LogP1.26
Rot. Bonds6

About (2S)-1-[2-(dicyclopropylmethylamino)-2-oxoethyl]pyrrolidine-2-carboxylic acid;hydrochloride

(2S)-1-[2-(dicyclopropylmethylamino)-2-oxoethyl]pyrrolidine-2-carboxylic acid;hydrochloride (PubChem CID 119910676) has the molecular formula C14H23ClN2O3 and a molecular weight of 302.80 g/mol. Its IUPAC name is (2S)-1-[2-(dicyclopropylmethylamino)-2-oxoethyl]pyrrolidine-2-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name(2S)-1-[2-(dicyclopropylmethylamino)-2-oxoethyl]pyrrolidine-2-carboxylic acid;hydrochloride
PubChem CID119910676
Molecular FormulaC14H23ClN2O3
Molecular Weight302.80 g/mol
Exact Mass302.14
IUPAC Name(2S)-1-[2-(dicyclopropylmethylamino)-2-oxoethyl]pyrrolidine-2-carboxylic acid;hydrochloride
SMILESCl.O=C(CN1CCC[C@H]1C(=O)O)NC(C1CC1)C1CC1
InChIInChI=1S/C14H22N2O3.ClH/c17-12(8-16-7-1-2-11(16)14(18)19)15-13(9-3-4-9)10-5-6-10;/h9-11,13H,1-8H2,(H,15,17)(H,18,19);1H/t11-;/m0./s1
InChIKeyDXZIXVNPOKWLEQ-MERQFXBCSA-N
XLogP1.26
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.80
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-oxo-2-(pentan-3-ylamino)ethyl]piperidine-2-carboxylic acid
CID 61489667
1-[2-[[cyclopentyl(phenyl)methyl]amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 119909069
(2S)-1-[2-[[(R)-cyclopentyl(phenyl)methyl]amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 125119984
1-[2-(carbamoylamino)-2-oxoethyl]piperidine-2-carboxylic acid
CID 43441026
1-[2-oxo-2-(pentan-2-ylamino)ethyl]azepane-2-carboxylic acid
CID 64564717
2-[(2R)-2-benzylpyrrolidin-1-yl]-N-(dicyclopropylmethyl)acetamide
CID 35564106
1-[2-(methoxycarbonylamino)-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 43442143
1-[2-(carbamoylamino)-2-oxoethyl]azepane-2-carboxylic acid
CID 64562960
2-[(2R)-2-acetylpyrrolidin-1-yl]-N-propan-2-ylacetamide
CID 59945974
(2S)-1-(2-amino-2-oxoethyl)pyrrolidine-2-carboxylic acid
CID 57122490
(2R)-1-[2-[1-(2-methoxyphenyl)ethylamino]-2-oxoethyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 119914296
(2R)-1-[2-(benzylamino)-2-oxoethyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 75482539

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[2-(dicyclopropylmethylamino)-2-oxoethyl]pyrrolidine-2-carboxylic acid;hydrochloride?
The IUPAC name of (2S)-1-[2-(dicyclopropylmethylamino)-2-oxoethyl]pyrrolidine-2-carboxylic acid;hydrochloride (CID 119910676) is (2S)-1-[2-(dicyclopropylmethylamino)-2-oxoethyl]pyrrolidine-2-carboxylic acid;hydrochloride.
What is the SMILES notation for (2S)-1-[2-(dicyclopropylmethylamino)-2-oxoethyl]pyrrolidine-2-carboxylic acid;hydrochloride?
The canonical SMILES for (2S)-1-[2-(dicyclopropylmethylamino)-2-oxoethyl]pyrrolidine-2-carboxylic acid;hydrochloride is Cl.O=C(CN1CCC[C@H]1C(=O)O)NC(C1CC1)C1CC1.
What is the InChIKey of (2S)-1-[2-(dicyclopropylmethylamino)-2-oxoethyl]pyrrolidine-2-carboxylic acid;hydrochloride?
The InChIKey is DXZIXVNPOKWLEQ-MERQFXBCSA-N. The full InChI is InChI=1S/C14H22N2O3.ClH/c17-12(8-16-7-1-2-11(16)14(18)19)15-13(9-3-4-9)10-5-6-10;/h9-11,13H,1-8H2,(H,15,17)(H,18,19);1H/t11-;/m0./s1.
What are the key properties of (2S)-1-[2-(dicyclopropylmethylamino)-2-oxoethyl]pyrrolidine-2-carboxylic acid;hydrochloride?
(2S)-1-[2-(dicyclopropylmethylamino)-2-oxoethyl]pyrrolidine-2-carboxylic acid;hydrochloride has a molecular weight of 302.80 g/mol, XLogP of 1.26, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[2-(dicyclopropylmethylamino)-2-oxoethyl]pyrrolidine-2-carboxylic acid;hydrochloride is sourced from PubChem (CID 119910676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).