(2S,4R)-4-amino-1-[2-(2,4-dioxopyrimidin-1-yl)acetyl]-N,N-diethylpyrrolidine-2-carboxamide

C15H23N5O4 — CID 56706280

IUPAC(2S,4R)-4-amino-1-[2-(2,4-dioxopyrimidin-1-yl)acetyl]-N,N-diethylpyrrolidine-2-carboxamide
SMILESCCN(CC)C(=O)[C@@H]1C[C@@H](N)CN1C(=O)Cn1ccc(=O)[nH]c1=O
InChIInChI=1S/C15H23N5O4/c1-3-18(4-2)14(23)11-7-10(16)8-20(11)13(22)9-19-6-5-12(21)17-15(19)24/h5-6,10-11H,3-4,7-9,16H2,1-2H3,(H,17,21,24)/t10-,11+/m1/s1
InChIKeyTXDQNLABGCAKLE-MNOVXSKESA-N
MW337.38 g/mol
LogP-1.67
Rot. Bonds5

About (2S,4R)-4-amino-1-[2-(2,4-dioxopyrimidin-1-yl)acetyl]-N,N-diethylpyrrolidine-2-carboxamide

(2S,4R)-4-amino-1-[2-(2,4-dioxopyrimidin-1-yl)acetyl]-N,N-diethylpyrrolidine-2-carboxamide (PubChem CID 56706280) has the molecular formula C15H23N5O4 and a molecular weight of 337.38 g/mol. Its IUPAC name is (2S,4R)-4-amino-1-[2-(2,4-dioxopyrimidin-1-yl)acetyl]-N,N-diethylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4R)-4-amino-1-[2-(2,4-dioxopyrimidin-1-yl)acetyl]-N,N-diethylpyrrolidine-2-carboxamide
PubChem CID56706280
Molecular FormulaC15H23N5O4
Molecular Weight337.38 g/mol
Exact Mass337.18
IUPAC Name(2S,4R)-4-amino-1-[2-(2,4-dioxopyrimidin-1-yl)acetyl]-N,N-diethylpyrrolidine-2-carboxamide
SMILESCCN(CC)C(=O)[C@@H]1C[C@@H](N)CN1C(=O)Cn1ccc(=O)[nH]c1=O
InChIInChI=1S/C15H23N5O4/c1-3-18(4-2)14(23)11-7-10(16)8-20(11)13(22)9-19-6-5-12(21)17-15(19)24/h5-6,10-11H,3-4,7-9,16H2,1-2H3,(H,17,21,24)/t10-,11+/m1/s1
InChIKeyTXDQNLABGCAKLE-MNOVXSKESA-N
XLogP-1.67
TPSA121.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 5-1.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-amino-1-[2-(2,4-dioxopyrimidin-1-yl)acetyl]-N,N-diethylpyrrolidine-2-carboxamide?
The IUPAC name of (2S,4R)-4-amino-1-[2-(2,4-dioxopyrimidin-1-yl)acetyl]-N,N-diethylpyrrolidine-2-carboxamide (CID 56706280) is (2S,4R)-4-amino-1-[2-(2,4-dioxopyrimidin-1-yl)acetyl]-N,N-diethylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4R)-4-amino-1-[2-(2,4-dioxopyrimidin-1-yl)acetyl]-N,N-diethylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4R)-4-amino-1-[2-(2,4-dioxopyrimidin-1-yl)acetyl]-N,N-diethylpyrrolidine-2-carboxamide is CCN(CC)C(=O)[C@@H]1C[C@@H](N)CN1C(=O)Cn1ccc(=O)[nH]c1=O.
What is the InChIKey of (2S,4R)-4-amino-1-[2-(2,4-dioxopyrimidin-1-yl)acetyl]-N,N-diethylpyrrolidine-2-carboxamide?
The InChIKey is TXDQNLABGCAKLE-MNOVXSKESA-N. The full InChI is InChI=1S/C15H23N5O4/c1-3-18(4-2)14(23)11-7-10(16)8-20(11)13(22)9-19-6-5-12(21)17-15(19)24/h5-6,10-11H,3-4,7-9,16H2,1-2H3,(H,17,21,24)/t10-,11+/m1/s1.
What are the key properties of (2S,4R)-4-amino-1-[2-(2,4-dioxopyrimidin-1-yl)acetyl]-N,N-diethylpyrrolidine-2-carboxamide?
(2S,4R)-4-amino-1-[2-(2,4-dioxopyrimidin-1-yl)acetyl]-N,N-diethylpyrrolidine-2-carboxamide has a molecular weight of 337.38 g/mol, XLogP of -1.67, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-amino-1-[2-(2,4-dioxopyrimidin-1-yl)acetyl]-N,N-diethylpyrrolidine-2-carboxamide is sourced from PubChem (CID 56706280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).