1-(2-aminoethyl)-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]imidazole-4-carboxamide

C13H21N5O2 — CID 107496824

IUPAC1-(2-aminoethyl)-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]imidazole-4-carboxamide
SMILESCC(CN1CCCC1=O)NC(=O)c1cn(CCN)cn1
InChIInChI=1S/C13H21N5O2/c1-10(7-18-5-2-3-12(18)19)16-13(20)11-8-17(6-4-14)9-15-11/h8-10H,2-7,14H2,1H3,(H,16,20)
InChIKeyVLJCKTWEPRHDSC-UHFFFAOYSA-N
MW279.34 g/mol
LogP-0.42
Rot. Bonds6

About 1-(2-aminoethyl)-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]imidazole-4-carboxamide

1-(2-aminoethyl)-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]imidazole-4-carboxamide (PubChem CID 107496824) has the molecular formula C13H21N5O2 and a molecular weight of 279.34 g/mol. Its IUPAC name is 1-(2-aminoethyl)-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]imidazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-aminoethyl)-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]imidazole-4-carboxamide
PubChem CID107496824
Molecular FormulaC13H21N5O2
Molecular Weight279.34 g/mol
Exact Mass279.17
IUPAC Name1-(2-aminoethyl)-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]imidazole-4-carboxamide
SMILESCC(CN1CCCC1=O)NC(=O)c1cn(CCN)cn1
InChIInChI=1S/C13H21N5O2/c1-10(7-18-5-2-3-12(18)19)16-13(20)11-8-17(6-4-14)9-15-11/h8-10H,2-7,14H2,1H3,(H,16,20)
InChIKeyVLJCKTWEPRHDSC-UHFFFAOYSA-N
XLogP-0.42
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-aminoethyl)-N-(4-methylsulfanylbutan-2-yl)imidazole-4-carboxamide
CID 107499731
1-(2-aminoethyl)-N-(1-cyanopropan-2-yl)imidazole-4-carboxamide
CID 107498166
4-[[1-(2-aminoethyl)imidazole-4-carbonyl]amino]pentanoic acid
CID 107498788
1-(2-aminoethyl)-N-(3,3-dimethylbutan-2-yl)imidazole-4-carboxamide
CID 107499699
1-(2-aminoethyl)-N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]imidazole-4-carboxamide
CID 107496209
2-(aminomethyl)-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]-1,3-thiazole-4-carboxamide
CID 66375513
N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]-2H-triazole-4-carboxamide
CID 112733895
6-[[1-(2-aminoethyl)imidazole-4-carbonyl]amino]-2-methylheptanoic acid
CID 107498996
2-(3-amino-1,2,4-triazol-1-yl)-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]acetamide
CID 61102795
4-(aminomethyl)-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]benzamide
CID 60928640
1-(2-aminoethyl)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]imidazole-4-carboxamide
CID 107852911
1-(2-aminoethyl)-N-[1-(2-methylphenyl)propan-2-yl]imidazole-4-carboxamide
CID 107496790

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]imidazole-4-carboxamide?
The IUPAC name of 1-(2-aminoethyl)-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]imidazole-4-carboxamide (CID 107496824) is 1-(2-aminoethyl)-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]imidazole-4-carboxamide.
What is the SMILES notation for 1-(2-aminoethyl)-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]imidazole-4-carboxamide?
The canonical SMILES for 1-(2-aminoethyl)-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]imidazole-4-carboxamide is CC(CN1CCCC1=O)NC(=O)c1cn(CCN)cn1.
What is the InChIKey of 1-(2-aminoethyl)-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]imidazole-4-carboxamide?
The InChIKey is VLJCKTWEPRHDSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O2/c1-10(7-18-5-2-3-12(18)19)16-13(20)11-8-17(6-4-14)9-15-11/h8-10H,2-7,14H2,1H3,(H,16,20).
What are the key properties of 1-(2-aminoethyl)-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]imidazole-4-carboxamide?
1-(2-aminoethyl)-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]imidazole-4-carboxamide has a molecular weight of 279.34 g/mol, XLogP of -0.42, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]imidazole-4-carboxamide is sourced from PubChem (CID 107496824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).