(2S)-N-[(2R)-1-[(3-amino-2-hydroxypropyl)amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-1-[4-methyl-2-(2-methylpropyl)pentanoyl]pyrrolidine-2-carboxamide;hydrochloride

C31H47ClN4O4 — CID 21021179

About (2S)-N-[(2R)-1-[(3-amino-2-hydroxypropyl)amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-1-[4-methyl-2-(2-methylpropyl)pentanoyl]pyrrolidine-2-carboxamide;hydrochloride

(2S)-N-[(2R)-1-[(3-amino-2-hydroxypropyl)amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-1-[4-methyl-2-(2-methylpropyl)pentanoyl]pyrrolidine-2-carboxamide;hydrochloride (PubChem CID 21021179) has the molecular formula C31H47ClN4O4 and a molecular weight of 575.19 g/mol. Its IUPAC name is (2S)-N-[(2R)-1-[(3-amino-2-hydroxypropyl)amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-1-[4-methyl-2-(2-methylpropyl)pentanoyl]pyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

• Compound Name: (2S)-N-[(2R)-1-[(3-amino-2-hydroxypropyl)amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-1-[4-methyl-2-(2-methylpropyl)pentanoyl]pyrrolidine-2-carboxamide;hydrochloride
• PubChem CID: 21021179
• Molecular Formula: C31H47ClN4O4
• Molecular Weight: 575.19 g/mol
• Exact Mass: 574.33
• IUPAC Name: (2S)-N-[(2R)-1-[(3-amino-2-hydroxypropyl)amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-1-[4-methyl-2-(2-methylpropyl)pentanoyl]pyrrolidine-2-carboxamide;hydrochloride
• SMILES: CC(C)CC(CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)NCC(O)CN.Cl
• InChI: InChI=1S/C31H46N4O4.ClH/c1-20(2)14-25(15-21(3)4)31(39)35-13-7-10-28(35)30(38)34-27(29(37)33-19-26(36)18-32)17-22-11-12-23-8-5-6-9-24(23)16-22;/h5-6,8-9,11-12,16,20-21,25-28,36H,7,10,13-15,17-19,32H2,1-4H3,(H,33,37)(H,34,38);1H/t26?,27-,28+;/m1./s1
• InChIKey: FZBWMUACFUVDDX-UTACWWELSA-N
• XLogP: 3.42
• TPSA: 124.76 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 5
• Rotatable Bonds: 13
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	575.19
LogP ≤ 5	3.42
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(2R)-1-[(3-amino-2-hydroxypropyl)amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-1-[4-methyl-2-(2-methylpropyl)pentanoyl]pyrrolidine-2-carboxamide;hydrochloride?

The IUPAC name of (2S)-N-[(2R)-1-[(3-amino-2-hydroxypropyl)amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-1-[4-methyl-2-(2-methylpropyl)pentanoyl]pyrrolidine-2-carboxamide;hydrochloride (CID 21021179) is (2S)-N-[(2R)-1-[(3-amino-2-hydroxypropyl)amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-1-[4-methyl-2-(2-methylpropyl)pentanoyl]pyrrolidine-2-carboxamide;hydrochloride.

What is the SMILES notation for (2S)-N-[(2R)-1-[(3-amino-2-hydroxypropyl)amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-1-[4-methyl-2-(2-methylpropyl)pentanoyl]pyrrolidine-2-carboxamide;hydrochloride?

The canonical SMILES for (2S)-N-[(2R)-1-[(3-amino-2-hydroxypropyl)amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-1-[4-methyl-2-(2-methylpropyl)pentanoyl]pyrrolidine-2-carboxamide;hydrochloride is CC(C)CC(CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)NCC(O)CN.Cl.

What is the InChIKey of (2S)-N-[(2R)-1-[(3-amino-2-hydroxypropyl)amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-1-[4-methyl-2-(2-methylpropyl)pentanoyl]pyrrolidine-2-carboxamide;hydrochloride?

The InChIKey is FZBWMUACFUVDDX-UTACWWELSA-N. The full InChI is InChI=1S/C31H46N4O4.ClH/c1-20(2)14-25(15-21(3)4)31(39)35-13-7-10-28(35)30(38)34-27(29(37)33-19-26(36)18-32)17-22-11-12-23-8-5-6-9-24(23)16-22;/h5-6,8-9,11-12,16,20-21,25-28,36H,7,10,13-15,17-19,32H2,1-4H3,(H,33,37)(H,34,38);1H/t26?,27-,28+;/m1./s1.

What are the key properties of (2S)-N-[(2R)-1-[(3-amino-2-hydroxypropyl)amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-1-[4-methyl-2-(2-methylpropyl)pentanoyl]pyrrolidine-2-carboxamide;hydrochloride?

(2S)-N-[(2R)-1-[(3-amino-2-hydroxypropyl)amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-1-[4-methyl-2-(2-methylpropyl)pentanoyl]pyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 575.19 g/mol, XLogP of 3.42, 13 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-N-[(2R)-1-[(3-amino-2-hydroxypropyl)amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-1-[4-methyl-2-(2-methylpropyl)pentanoyl]pyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 21021179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).