N-[1-[2-amino-3-(1-methylimidazol-4-yl)propanoyl]pyrrolidine-2-carbonyl]-5-oxopyrrolidine-2-carboxamide

C17H24N6O4 — CID 53462756

IUPACN-[1-[2-amino-3-(1-methylimidazol-4-yl)propanoyl]pyrrolidine-2-carbonyl]-5-oxopyrrolidine-2-carboxamide
SMILESCn1cnc(CC(N)C(=O)N2CCCC2C(=O)NC(=O)C2CCC(=O)N2)c1
InChIInChI=1S/C17H24N6O4/c1-22-8-10(19-9-22)7-11(18)17(27)23-6-2-3-13(23)16(26)21-15(25)12-4-5-14(24)20-12/h8-9,11-13H,2-7,18H2,1H3,(H,20,24)(H,21,25,26)
InChIKeyPBGMJEFISXYLCY-UHFFFAOYSA-N
MW376.42 g/mol
LogP-1.80
Rot. Bonds5

About N-[1-[2-amino-3-(1-methylimidazol-4-yl)propanoyl]pyrrolidine-2-carbonyl]-5-oxopyrrolidine-2-carboxamide

N-[1-[2-amino-3-(1-methylimidazol-4-yl)propanoyl]pyrrolidine-2-carbonyl]-5-oxopyrrolidine-2-carboxamide (PubChem CID 53462756) has the molecular formula C17H24N6O4 and a molecular weight of 376.42 g/mol. Its IUPAC name is N-[1-[2-amino-3-(1-methylimidazol-4-yl)propanoyl]pyrrolidine-2-carbonyl]-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[1-[2-amino-3-(1-methylimidazol-4-yl)propanoyl]pyrrolidine-2-carbonyl]-5-oxopyrrolidine-2-carboxamide
PubChem CID53462756
Molecular FormulaC17H24N6O4
Molecular Weight376.42 g/mol
Exact Mass376.19
IUPAC NameN-[1-[2-amino-3-(1-methylimidazol-4-yl)propanoyl]pyrrolidine-2-carbonyl]-5-oxopyrrolidine-2-carboxamide
SMILESCn1cnc(CC(N)C(=O)N2CCCC2C(=O)NC(=O)C2CCC(=O)N2)c1
InChIInChI=1S/C17H24N6O4/c1-22-8-10(19-9-22)7-11(18)17(27)23-6-2-3-13(23)16(26)21-15(25)12-4-5-14(24)20-12/h8-9,11-13H,2-7,18H2,1H3,(H,20,24)(H,21,25,26)
InChIKeyPBGMJEFISXYLCY-UHFFFAOYSA-N
XLogP-1.80
TPSA139.42 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 5-1.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1-methoxyethyl 4-[(2S)-3-[(2S)-2-carbamoylpyrrolidin-1-yl]-3-oxo-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]propyl]imidazole-1-carboxylate
CID 101137541
(2S)-N-[1-[(2S)-2-carbamoylpyrrolidin-1-yl]-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-5-oxopyrrolidine-2-carboxamide
CID 174386227
2-[[(2S)-2-amino-3-[1-[(2S)-5-oxopyrrolidine-2-carbonyl]imidazol-4-yl]propanoyl]amino]acetic acid
CID 57128714
(2R)-1-[(2S)-3-(1H-imidazol-5-yl)-2-[[(2R)-5-oxopyrrolidine-2-carbonyl]amino]propanoyl]pyrrolidine-2-carboxylic acid
CID 129359877
(4S)-5-[(2S)-2-carbamoylpyrrolidin-1-yl]-5-oxo-4-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pentanoate
CID 7408204
(2S)-N-[(2S)-1-[(2S)-2-(ethylcarbamoyl)pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]-5-oxopyrrolidine-2-carboxamide
CID 13312525
acetic acid;(2S)-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-5-oxopyrrolidine-2-carboxamide
CID 69031038
N-[4-amino-1-[2-[(4-methylphenyl)carbamoyl]pyrrolidin-1-yl]-1,4-dioxobutan-2-yl]-5-oxopyrrolidine-2-carboxamide
CID 59096165
1-[(2S)-2-amino-3-phenylpropanoyl]-N-methylpyrrolidine-2-carboxamide
CID 61164772
[1-[2-(2,2-dimethylpropanoyl)pyrrolidin-1-yl]-1-oxopropan-2-yl] 5-oxopyrrolidine-2-carboxylate
CID 20749839
(2S)-1-[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]-N-[(2R)-3-oxobutan-2-yl]pyrrolidine-2-carboxamide
CID 159191538
(2S)-N-[(2S)-4-amino-1-[(2S)-2-[(3-hydroxy-4-methoxybenzoyl)carbamoyl]pyrrolidin-1-yl]-1,4-dioxobutan-2-yl]-5-oxopyrrolidine-2-carboxamide
CID 134142867

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-amino-3-(1-methylimidazol-4-yl)propanoyl]pyrrolidine-2-carbonyl]-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of N-[1-[2-amino-3-(1-methylimidazol-4-yl)propanoyl]pyrrolidine-2-carbonyl]-5-oxopyrrolidine-2-carboxamide (CID 53462756) is N-[1-[2-amino-3-(1-methylimidazol-4-yl)propanoyl]pyrrolidine-2-carbonyl]-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for N-[1-[2-amino-3-(1-methylimidazol-4-yl)propanoyl]pyrrolidine-2-carbonyl]-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for N-[1-[2-amino-3-(1-methylimidazol-4-yl)propanoyl]pyrrolidine-2-carbonyl]-5-oxopyrrolidine-2-carboxamide is Cn1cnc(CC(N)C(=O)N2CCCC2C(=O)NC(=O)C2CCC(=O)N2)c1.
What is the InChIKey of N-[1-[2-amino-3-(1-methylimidazol-4-yl)propanoyl]pyrrolidine-2-carbonyl]-5-oxopyrrolidine-2-carboxamide?
The InChIKey is PBGMJEFISXYLCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O4/c1-22-8-10(19-9-22)7-11(18)17(27)23-6-2-3-13(23)16(26)21-15(25)12-4-5-14(24)20-12/h8-9,11-13H,2-7,18H2,1H3,(H,20,24)(H,21,25,26).
What are the key properties of N-[1-[2-amino-3-(1-methylimidazol-4-yl)propanoyl]pyrrolidine-2-carbonyl]-5-oxopyrrolidine-2-carboxamide?
N-[1-[2-amino-3-(1-methylimidazol-4-yl)propanoyl]pyrrolidine-2-carbonyl]-5-oxopyrrolidine-2-carboxamide has a molecular weight of 376.42 g/mol, XLogP of -1.80, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-amino-3-(1-methylimidazol-4-yl)propanoyl]pyrrolidine-2-carbonyl]-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 53462756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).