(2S)-1-[2-(4-pyridin-2-ylbutanoylamino)propanoyl]pyrrolidine-2-carboxamide

C17H24N4O3 — CID 170311929

IUPAC(2S)-1-[2-(4-pyridin-2-ylbutanoylamino)propanoyl]pyrrolidine-2-carboxamide
SMILESCC(NC(=O)CCCc1ccccn1)C(=O)N1CCC[C@H]1C(N)=O
InChIInChI=1S/C17H24N4O3/c1-12(17(24)21-11-5-8-14(21)16(18)23)20-15(22)9-4-7-13-6-2-3-10-19-13/h2-3,6,10,12,14H,4-5,7-9,11H2,1H3,(H2,18,23)(H,20,22)/t12?,14-/m0/s1
InChIKeyJEEYBZWHQUXDFV-PYMCNQPYSA-N
MW332.40 g/mol
LogP0.39
Rot. Bonds7

About (2S)-1-[2-(4-pyridin-2-ylbutanoylamino)propanoyl]pyrrolidine-2-carboxamide

(2S)-1-[2-(4-pyridin-2-ylbutanoylamino)propanoyl]pyrrolidine-2-carboxamide (PubChem CID 170311929) has the molecular formula C17H24N4O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is (2S)-1-[2-(4-pyridin-2-ylbutanoylamino)propanoyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[2-(4-pyridin-2-ylbutanoylamino)propanoyl]pyrrolidine-2-carboxamide
PubChem CID170311929
Molecular FormulaC17H24N4O3
Molecular Weight332.40 g/mol
Exact Mass332.18
IUPAC Name(2S)-1-[2-(4-pyridin-2-ylbutanoylamino)propanoyl]pyrrolidine-2-carboxamide
SMILESCC(NC(=O)CCCc1ccccn1)C(=O)N1CCC[C@H]1C(N)=O
InChIInChI=1S/C17H24N4O3/c1-12(17(24)21-11-5-8-14(21)16(18)23)20-15(22)9-4-7-13-6-2-3-10-19-13/h2-3,6,10,12,14H,4-5,7-9,11H2,1H3,(H2,18,23)(H,20,22)/t12?,14-/m0/s1
InChIKeyJEEYBZWHQUXDFV-PYMCNQPYSA-N
XLogP0.39
TPSA105.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-[(2S)-2-benzamidopropanoyl]pyrrolidine-2-carboxamide
CID 169260137
(2S)-1-[(2S)-2-(3-phenylpropanoylamino)propanoyl]pyrrolidine-2-carboxylic acid
CID 54268836
2-[[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-3-phenylpropanoic acid
CID 70044514
(2R)-2-(3-pyridin-2-ylpropanoylamino)propanoic acid
CID 81454532
(2S)-1-(3-pyridin-2-ylpropanoyl)pyrrolidine-2-carboxylic acid
CID 81453761
1-[(2S)-2-[(2S)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-4-pyridin-2-ylbutan-1-one
CID 95339985
(2R)-1-[(2S)-2-ethylpiperidin-1-yl]-2-(2-pyridin-2-ylethylamino)propan-1-one
CID 95274911
1-[methyl(2-pyridin-2-ylethyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61195359
(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-4-phenylbutanoyl]amino]propanoyl]pyrrolidine-2-carboxamide
CID 167107214
1-[2-(aminomethyl)piperidin-1-yl]-3-pyridin-2-ylpropan-1-one
CID 81479420
(2S)-1-[(2S)-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-N-(pyridin-2-ylmethyl)pyrrolidine-2-carboxamide
CID 25241662
(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]pyrrolidine-2-carboxamide
CID 134827423

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[2-(4-pyridin-2-ylbutanoylamino)propanoyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-[2-(4-pyridin-2-ylbutanoylamino)propanoyl]pyrrolidine-2-carboxamide (CID 170311929) is (2S)-1-[2-(4-pyridin-2-ylbutanoylamino)propanoyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-[2-(4-pyridin-2-ylbutanoylamino)propanoyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-[2-(4-pyridin-2-ylbutanoylamino)propanoyl]pyrrolidine-2-carboxamide is CC(NC(=O)CCCc1ccccn1)C(=O)N1CCC[C@H]1C(N)=O.
What is the InChIKey of (2S)-1-[2-(4-pyridin-2-ylbutanoylamino)propanoyl]pyrrolidine-2-carboxamide?
The InChIKey is JEEYBZWHQUXDFV-PYMCNQPYSA-N. The full InChI is InChI=1S/C17H24N4O3/c1-12(17(24)21-11-5-8-14(21)16(18)23)20-15(22)9-4-7-13-6-2-3-10-19-13/h2-3,6,10,12,14H,4-5,7-9,11H2,1H3,(H2,18,23)(H,20,22)/t12?,14-/m0/s1.
What are the key properties of (2S)-1-[2-(4-pyridin-2-ylbutanoylamino)propanoyl]pyrrolidine-2-carboxamide?
(2S)-1-[2-(4-pyridin-2-ylbutanoylamino)propanoyl]pyrrolidine-2-carboxamide has a molecular weight of 332.40 g/mol, XLogP of 0.39, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[2-(4-pyridin-2-ylbutanoylamino)propanoyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 170311929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).