(2R)-1-[[2-(ethylamino)-2-oxoethyl]carbamoyl]pyrrolidine-2-carboxylic acid

C10H17N3O4 — CID 55151526

IUPAC(2R)-1-[[2-(ethylamino)-2-oxoethyl]carbamoyl]pyrrolidine-2-carboxylic acid
SMILESCCNC(=O)CNC(=O)N1CCC[C@@H]1C(=O)O
InChIInChI=1S/C10H17N3O4/c1-2-11-8(14)6-12-10(17)13-5-3-4-7(13)9(15)16/h7H,2-6H2,1H3,(H,11,14)(H,12,17)(H,15,16)/t7-/m1/s1
InChIKeySMQPYZZVDWEHTP-SSDOTTSWSA-N
MW243.26 g/mol
LogP-0.62
Rot. Bonds4

About (2R)-1-[[2-(ethylamino)-2-oxoethyl]carbamoyl]pyrrolidine-2-carboxylic acid

(2R)-1-[[2-(ethylamino)-2-oxoethyl]carbamoyl]pyrrolidine-2-carboxylic acid (PubChem CID 55151526) has the molecular formula C10H17N3O4 and a molecular weight of 243.26 g/mol. Its IUPAC name is (2R)-1-[[2-(ethylamino)-2-oxoethyl]carbamoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-[[2-(ethylamino)-2-oxoethyl]carbamoyl]pyrrolidine-2-carboxylic acid
PubChem CID55151526
Molecular FormulaC10H17N3O4
Molecular Weight243.26 g/mol
Exact Mass243.12
IUPAC Name(2R)-1-[[2-(ethylamino)-2-oxoethyl]carbamoyl]pyrrolidine-2-carboxylic acid
SMILESCCNC(=O)CNC(=O)N1CCC[C@@H]1C(=O)O
InChIInChI=1S/C10H17N3O4/c1-2-11-8(14)6-12-10(17)13-5-3-4-7(13)9(15)16/h7H,2-6H2,1H3,(H,11,14)(H,12,17)(H,15,16)/t7-/m1/s1
InChIKeySMQPYZZVDWEHTP-SSDOTTSWSA-N
XLogP-0.62
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 5-0.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-(ethylcarbamoyl)piperidine-2-carboxylic acid
CID 66264798
1-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]azepane-2-carboxylic acid
CID 64564676
(2R)-1-(3-propoxypropylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 82943085
1-[5-(ethylamino)-5-oxopentanoyl]pyrrolidine-2-carboxylic acid
CID 119355725
1-(pentylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 61183075
(2R)-1-[[2-(ethylamino)-2-oxoethyl]-methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 78922463
1-(prop-2-ynylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 61192237
1-[(2-ethoxy-2-oxoethyl)carbamoyl]azepane-2-carboxylic acid
CID 64563112
(2S)-1-[2-(diethylamino)ethylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 78967793
(2R)-1-[2-(diethylamino)ethylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 55149866
1-[(1-ethylpyrrolidin-2-yl)methylcarbamoyl]piperidine-2-carboxylic acid
CID 61191761
1-[2-(dimethylamino)ethylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 61188498

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[[2-(ethylamino)-2-oxoethyl]carbamoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-[[2-(ethylamino)-2-oxoethyl]carbamoyl]pyrrolidine-2-carboxylic acid (CID 55151526) is (2R)-1-[[2-(ethylamino)-2-oxoethyl]carbamoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-[[2-(ethylamino)-2-oxoethyl]carbamoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-[[2-(ethylamino)-2-oxoethyl]carbamoyl]pyrrolidine-2-carboxylic acid is CCNC(=O)CNC(=O)N1CCC[C@@H]1C(=O)O.
What is the InChIKey of (2R)-1-[[2-(ethylamino)-2-oxoethyl]carbamoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is SMQPYZZVDWEHTP-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H17N3O4/c1-2-11-8(14)6-12-10(17)13-5-3-4-7(13)9(15)16/h7H,2-6H2,1H3,(H,11,14)(H,12,17)(H,15,16)/t7-/m1/s1.
What are the key properties of (2R)-1-[[2-(ethylamino)-2-oxoethyl]carbamoyl]pyrrolidine-2-carboxylic acid?
(2R)-1-[[2-(ethylamino)-2-oxoethyl]carbamoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 243.26 g/mol, XLogP of -0.62, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[[2-(ethylamino)-2-oxoethyl]carbamoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 55151526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).