2-[(2,5-dioxo-1-propylpyrrolidin-3-yl)amino]ethyl carbamate

C10H17N3O4 — CID 83211649

IUPAC2-[(2,5-dioxo-1-propylpyrrolidin-3-yl)amino]ethyl carbamate
SMILESCCCN1C(=O)CC(NCCOC(N)=O)C1=O
InChIInChI=1S/C10H17N3O4/c1-2-4-13-8(14)6-7(9(13)15)12-3-5-17-10(11)16/h7,12H,2-6H2,1H3,(H2,11,16)
InChIKeyJLMYEGABGGSYIG-UHFFFAOYSA-N
MW243.26 g/mol
LogP-0.79
Rot. Bonds6

About 2-[(2,5-dioxo-1-propylpyrrolidin-3-yl)amino]ethyl carbamate

2-[(2,5-dioxo-1-propylpyrrolidin-3-yl)amino]ethyl carbamate (PubChem CID 83211649) has the molecular formula C10H17N3O4 and a molecular weight of 243.26 g/mol. Its IUPAC name is 2-[(2,5-dioxo-1-propylpyrrolidin-3-yl)amino]ethyl carbamate.

Molecular Properties

Compound Name2-[(2,5-dioxo-1-propylpyrrolidin-3-yl)amino]ethyl carbamate
PubChem CID83211649
Molecular FormulaC10H17N3O4
Molecular Weight243.26 g/mol
Exact Mass243.12
IUPAC Name2-[(2,5-dioxo-1-propylpyrrolidin-3-yl)amino]ethyl carbamate
SMILESCCCN1C(=O)CC(NCCOC(N)=O)C1=O
InChIInChI=1S/C10H17N3O4/c1-2-4-13-8(14)6-7(9(13)15)12-3-5-17-10(11)16/h7,12H,2-6H2,1H3,(H2,11,16)
InChIKeyJLMYEGABGGSYIG-UHFFFAOYSA-N
XLogP-0.79
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 5-0.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Ethyl 2-({4-amino-2-[(tert-butoxycarbonyl)amino]-4-oxobutanoyl}amino)acetate
CID 2819985
tert-butyl N-(2,5-dioxopyrrolidin-3-yl)carbamate
CID 71122589
Glycine, N-((2-oxo-1-pyrrolidinyl)acetyl)-, 2-(dimethylamino)ethyl ester
CID 3076736
Methyl 2-((2,5-dioxopyrrolidin-3-yl)amino)acetate
CID 43637687
methyl N-[1-[(2S)-1-amino-1-oxobutan-2-yl]-5-oxopyrrolidin-3-yl]carbamate
CID 11230270
Butyloxycarbonyl-asparaginyl-glycyl-glycinamide
CID 129976
N1-(2-methoxyethyl)-N2-(3-(2-oxopyrrolidin-1-yl)propyl)oxalamide
CID 45497345
Ethyl (1-cyclopropyl-5-oxopyrrolidin-3-yl)carbamate
CID 71789223
Glycine, N-(1-methyl-2,5-dioxo-3-pyrrolidinyl)-, methyl ester
CID 43635919
Boc-Asn-Gly-OEt
CID 7020328
N-(2-ethoxyethyl)-3-[3-(fluoroamino)-2,5-dioxopyrrolidin-1-yl]propanamide
CID 59356246
methyl 2-[[(2S)-2-(2-oxopyrrolidin-1-yl)butanoyl]amino]acetate
CID 16082435

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dioxo-1-propylpyrrolidin-3-yl)amino]ethyl carbamate?
The IUPAC name of 2-[(2,5-dioxo-1-propylpyrrolidin-3-yl)amino]ethyl carbamate (CID 83211649) is 2-[(2,5-dioxo-1-propylpyrrolidin-3-yl)amino]ethyl carbamate.
What is the SMILES notation for 2-[(2,5-dioxo-1-propylpyrrolidin-3-yl)amino]ethyl carbamate?
The canonical SMILES for 2-[(2,5-dioxo-1-propylpyrrolidin-3-yl)amino]ethyl carbamate is CCCN1C(=O)CC(NCCOC(N)=O)C1=O.
What is the InChIKey of 2-[(2,5-dioxo-1-propylpyrrolidin-3-yl)amino]ethyl carbamate?
The InChIKey is JLMYEGABGGSYIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O4/c1-2-4-13-8(14)6-7(9(13)15)12-3-5-17-10(11)16/h7,12H,2-6H2,1H3,(H2,11,16).
What are the key properties of 2-[(2,5-dioxo-1-propylpyrrolidin-3-yl)amino]ethyl carbamate?
2-[(2,5-dioxo-1-propylpyrrolidin-3-yl)amino]ethyl carbamate has a molecular weight of 243.26 g/mol, XLogP of -0.79, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dioxo-1-propylpyrrolidin-3-yl)amino]ethyl carbamate is sourced from PubChem (CID 83211649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).