(2S)-1-[(2S)-2-[(2-aminoacetyl)amino]propanoyl]-N-naphthalen-2-ylpyrrolidine-2-carboxamide

C20H24N4O3 — CID 46937094

IUPAC(2S)-1-[(2S)-2-[(2-aminoacetyl)amino]propanoyl]-N-naphthalen-2-ylpyrrolidine-2-carboxamide
SMILESC[C@H](NC(=O)CN)C(=O)N1CCC[C@H]1C(=O)Nc1ccc2ccccc2c1
InChIInChI=1S/C20H24N4O3/c1-13(22-18(25)12-21)20(27)24-10-4-7-17(24)19(26)23-16-9-8-14-5-2-3-6-15(14)11-16/h2-3,5-6,8-9,11,13,17H,4,7,10,12,21H2,1H3,(H,22,25)(H,23,26)/t13-,17-/m0/s1
InChIKeyKCELZXZDIUJGNM-GUYCJALGSA-N
MW368.44 g/mol
LogP1.23
Rot. Bonds5

About (2S)-1-[(2S)-2-[(2-aminoacetyl)amino]propanoyl]-N-naphthalen-2-ylpyrrolidine-2-carboxamide

(2S)-1-[(2S)-2-[(2-aminoacetyl)amino]propanoyl]-N-naphthalen-2-ylpyrrolidine-2-carboxamide (PubChem CID 46937094) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is (2S)-1-[(2S)-2-[(2-aminoacetyl)amino]propanoyl]-N-naphthalen-2-ylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[(2S)-2-[(2-aminoacetyl)amino]propanoyl]-N-naphthalen-2-ylpyrrolidine-2-carboxamide
PubChem CID46937094
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC Name(2S)-1-[(2S)-2-[(2-aminoacetyl)amino]propanoyl]-N-naphthalen-2-ylpyrrolidine-2-carboxamide
SMILESC[C@H](NC(=O)CN)C(=O)N1CCC[C@H]1C(=O)Nc1ccc2ccccc2c1
InChIInChI=1S/C20H24N4O3/c1-13(22-18(25)12-21)20(27)24-10-4-7-17(24)19(26)23-16-9-8-14-5-2-3-6-15(14)11-16/h2-3,5-6,8-9,11,13,17H,4,7,10,12,21H2,1H3,(H,22,25)(H,23,26)/t13-,17-/m0/s1
InChIKeyKCELZXZDIUJGNM-GUYCJALGSA-N
XLogP1.23
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 51.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(2S)-2-[(2-aminoacetyl)amino]propanoyl]-N-naphthalen-2-ylpyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-[(2S)-2-[(2-aminoacetyl)amino]propanoyl]-N-naphthalen-2-ylpyrrolidine-2-carboxamide (CID 46937094) is (2S)-1-[(2S)-2-[(2-aminoacetyl)amino]propanoyl]-N-naphthalen-2-ylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-[(2S)-2-[(2-aminoacetyl)amino]propanoyl]-N-naphthalen-2-ylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-[(2S)-2-[(2-aminoacetyl)amino]propanoyl]-N-naphthalen-2-ylpyrrolidine-2-carboxamide is C[C@H](NC(=O)CN)C(=O)N1CCC[C@H]1C(=O)Nc1ccc2ccccc2c1.
What is the InChIKey of (2S)-1-[(2S)-2-[(2-aminoacetyl)amino]propanoyl]-N-naphthalen-2-ylpyrrolidine-2-carboxamide?
The InChIKey is KCELZXZDIUJGNM-GUYCJALGSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-13(22-18(25)12-21)20(27)24-10-4-7-17(24)19(26)23-16-9-8-14-5-2-3-6-15(14)11-16/h2-3,5-6,8-9,11,13,17H,4,7,10,12,21H2,1H3,(H,22,25)(H,23,26)/t13-,17-/m0/s1.
What are the key properties of (2S)-1-[(2S)-2-[(2-aminoacetyl)amino]propanoyl]-N-naphthalen-2-ylpyrrolidine-2-carboxamide?
(2S)-1-[(2S)-2-[(2-aminoacetyl)amino]propanoyl]-N-naphthalen-2-ylpyrrolidine-2-carboxamide has a molecular weight of 368.44 g/mol, XLogP of 1.23, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(2S)-2-[(2-aminoacetyl)amino]propanoyl]-N-naphthalen-2-ylpyrrolidine-2-carboxamide is sourced from PubChem (CID 46937094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).