(2S)-1-(2-carbamoyloxyethylcarbamoyl)pyrrolidine-2-carboxylic acid

C9H15N3O5 — CID 83204921

IUPAC(2S)-1-(2-carbamoyloxyethylcarbamoyl)pyrrolidine-2-carboxylic acid
SMILESNC(=O)OCCNC(=O)N1CCC[C@H]1C(=O)O
InChIInChI=1S/C9H15N3O5/c10-8(15)17-5-3-11-9(16)12-4-1-2-6(12)7(13)14/h6H,1-5H2,(H2,10,15)(H,11,16)(H,13,14)/t6-/m0/s1
InChIKeySDNQJUIZXLPCPC-LURJTMIESA-N
MW245.23 g/mol
LogP-0.66
Rot. Bonds4

About (2S)-1-(2-carbamoyloxyethylcarbamoyl)pyrrolidine-2-carboxylic acid

(2S)-1-(2-carbamoyloxyethylcarbamoyl)pyrrolidine-2-carboxylic acid (PubChem CID 83204921) has the molecular formula C9H15N3O5 and a molecular weight of 245.23 g/mol. Its IUPAC name is (2S)-1-(2-carbamoyloxyethylcarbamoyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-(2-carbamoyloxyethylcarbamoyl)pyrrolidine-2-carboxylic acid
PubChem CID83204921
Molecular FormulaC9H15N3O5
Molecular Weight245.23 g/mol
Exact Mass245.10
IUPAC Name(2S)-1-(2-carbamoyloxyethylcarbamoyl)pyrrolidine-2-carboxylic acid
SMILESNC(=O)OCCNC(=O)N1CCC[C@H]1C(=O)O
InChIInChI=1S/C9H15N3O5/c10-8(15)17-5-3-11-9(16)12-4-1-2-6(12)7(13)14/h6H,1-5H2,(H2,10,15)(H,11,16)(H,13,14)/t6-/m0/s1
InChIKeySDNQJUIZXLPCPC-LURJTMIESA-N
XLogP-0.66
TPSA121.96 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.23
LogP ≤ 5-0.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 63833712
(2R)-1-(3-propoxypropylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 82943085
2-[1-(2-carbamoyloxyethylcarbamoyl)piperidin-2-yl]acetic acid
CID 83204570
(2R)-1-[4-(2-methoxyethoxy)butylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 104860990
1-(2-propan-2-yloxyethylcarbamoyl)azepane-2-carboxylic acid
CID 113450642
1-(pentylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 61183075
1-[2-(dimethylamino)ethylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 61188498
(2S)-1-(3-methylbutylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 28510076
(2S)-1-(3-cyclopentylpropylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 103995479
(2S)-1-[2-(diethylamino)ethylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 78967793
(2R)-1-[2-(diethylamino)ethylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 55149866
1-[3-(cyclopropylmethoxy)propylcarbamoyl]piperidine-2-carboxylic acid
CID 103994468

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2-carbamoyloxyethylcarbamoyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-(2-carbamoyloxyethylcarbamoyl)pyrrolidine-2-carboxylic acid (CID 83204921) is (2S)-1-(2-carbamoyloxyethylcarbamoyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-(2-carbamoyloxyethylcarbamoyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-(2-carbamoyloxyethylcarbamoyl)pyrrolidine-2-carboxylic acid is NC(=O)OCCNC(=O)N1CCC[C@H]1C(=O)O.
What is the InChIKey of (2S)-1-(2-carbamoyloxyethylcarbamoyl)pyrrolidine-2-carboxylic acid?
The InChIKey is SDNQJUIZXLPCPC-LURJTMIESA-N. The full InChI is InChI=1S/C9H15N3O5/c10-8(15)17-5-3-11-9(16)12-4-1-2-6(12)7(13)14/h6H,1-5H2,(H2,10,15)(H,11,16)(H,13,14)/t6-/m0/s1.
What are the key properties of (2S)-1-(2-carbamoyloxyethylcarbamoyl)pyrrolidine-2-carboxylic acid?
(2S)-1-(2-carbamoyloxyethylcarbamoyl)pyrrolidine-2-carboxylic acid has a molecular weight of 245.23 g/mol, XLogP of -0.66, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(2-carbamoyloxyethylcarbamoyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 83204921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).