1-[2-(carbamoylamino)ethylcarbamoyl]-4-methoxypyrrolidine-2-carboxylic acid

C10H18N4O5 — CID 83113219

IUPAC1-[2-(carbamoylamino)ethylcarbamoyl]-4-methoxypyrrolidine-2-carboxylic acid
SMILESCOC1CC(C(=O)O)N(C(=O)NCCNC(N)=O)C1
InChIInChI=1S/C10H18N4O5/c1-19-6-4-7(8(15)16)14(5-6)10(18)13-3-2-12-9(11)17/h6-7H,2-5H2,1H3,(H,13,18)(H,15,16)(H3,11,12,17)
InChIKeyBHHIPKAGHKQYHW-UHFFFAOYSA-N
MW274.28 g/mol
LogP-1.46
Rot. Bonds5

About 1-[2-(carbamoylamino)ethylcarbamoyl]-4-methoxypyrrolidine-2-carboxylic acid

1-[2-(carbamoylamino)ethylcarbamoyl]-4-methoxypyrrolidine-2-carboxylic acid (PubChem CID 83113219) has the molecular formula C10H18N4O5 and a molecular weight of 274.28 g/mol. Its IUPAC name is 1-[2-(carbamoylamino)ethylcarbamoyl]-4-methoxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-(carbamoylamino)ethylcarbamoyl]-4-methoxypyrrolidine-2-carboxylic acid
PubChem CID83113219
Molecular FormulaC10H18N4O5
Molecular Weight274.28 g/mol
Exact Mass274.13
IUPAC Name1-[2-(carbamoylamino)ethylcarbamoyl]-4-methoxypyrrolidine-2-carboxylic acid
SMILESCOC1CC(C(=O)O)N(C(=O)NCCNC(N)=O)C1
InChIInChI=1S/C10H18N4O5/c1-19-6-4-7(8(15)16)14(5-6)10(18)13-3-2-12-9(11)17/h6-7H,2-5H2,1H3,(H,13,18)(H,15,16)(H3,11,12,17)
InChIKeyBHHIPKAGHKQYHW-UHFFFAOYSA-N
XLogP-1.46
TPSA133.99 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 5-1.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-1-[2-(carbamoylamino)ethylcarbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 83112729
1-[2-[ethyl(methyl)amino]ethylcarbamoyl]-4-methoxypyrrolidine-2-carboxylic acid
CID 55097642
4-methoxy-1-(prop-2-ynylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 61192351
1-[3-(methanesulfonamido)propylcarbamoyl]-4-methoxypyrrolidine-2-carboxylic acid
CID 106340335
1-(cyclobutylmethylcarbamoyl)-4-methoxypyrrolidine-2-carboxylic acid
CID 61197043
4-methoxy-1-(2-thiophen-2-ylethylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 61189499
4-methoxy-1-[(1-methylpyrrolidin-3-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 61206593
4-methoxy-1-(piperidin-1-ylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 83019976
1-(3-acetamidopropanoyl)-4-methoxypyrrolidine-2-carboxylic acid
CID 43359652
1-[2-(1H-imidazol-5-yl)ethylcarbamoyl]-4-methoxypyrrolidine-2-carboxylic acid
CID 65231065
4-methoxy-1-(3-methylpentan-3-ylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 114174500
1-[(4-chlorophenyl)methylcarbamoyl]-4-methoxypyrrolidine-2-carboxylic acid
CID 61192553

Frequently Asked Questions

What is the IUPAC name of 1-[2-(carbamoylamino)ethylcarbamoyl]-4-methoxypyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[2-(carbamoylamino)ethylcarbamoyl]-4-methoxypyrrolidine-2-carboxylic acid (CID 83113219) is 1-[2-(carbamoylamino)ethylcarbamoyl]-4-methoxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[2-(carbamoylamino)ethylcarbamoyl]-4-methoxypyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[2-(carbamoylamino)ethylcarbamoyl]-4-methoxypyrrolidine-2-carboxylic acid is COC1CC(C(=O)O)N(C(=O)NCCNC(N)=O)C1.
What is the InChIKey of 1-[2-(carbamoylamino)ethylcarbamoyl]-4-methoxypyrrolidine-2-carboxylic acid?
The InChIKey is BHHIPKAGHKQYHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O5/c1-19-6-4-7(8(15)16)14(5-6)10(18)13-3-2-12-9(11)17/h6-7H,2-5H2,1H3,(H,13,18)(H,15,16)(H3,11,12,17).
What are the key properties of 1-[2-(carbamoylamino)ethylcarbamoyl]-4-methoxypyrrolidine-2-carboxylic acid?
1-[2-(carbamoylamino)ethylcarbamoyl]-4-methoxypyrrolidine-2-carboxylic acid has a molecular weight of 274.28 g/mol, XLogP of -1.46, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(carbamoylamino)ethylcarbamoyl]-4-methoxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 83113219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).