2-methylpropyl N-[(2S)-1-[[(2R)-butan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate

C20H29N3O3 — CID 40575884

About 2-methylpropyl N-[(2S)-1-[[(2R)-butan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate

2-methylpropyl N-[(2S)-1-[[(2R)-butan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate (PubChem CID 40575884) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is 2-methylpropyl N-[(2S)-1-[[(2R)-butan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate.

Molecular Properties

• Compound Name: 2-methylpropyl N-[(2S)-1-[[(2R)-butan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate
• PubChem CID: 40575884
• Molecular Formula: C20H29N3O3
• Molecular Weight: 359.47 g/mol
• Exact Mass: 359.22
• IUPAC Name: 2-methylpropyl N-[(2S)-1-[[(2R)-butan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate
• SMILES: CC[C@@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCC(C)C
• InChI: InChI=1S/C20H29N3O3/c1-5-14(4)22-19(24)18(23-20(25)26-12-13(2)3)10-15-11-21-17-9-7-6-8-16(15)17/h6-9,11,13-14,18,21H,5,10,12H2,1-4H3,(H,22,24)(H,23,25)/t14-,18+/m1/s1
• InChIKey: HKZDBUSCSNJSDE-KDOFPFPSSA-N
• XLogP: 3.38
• TPSA: 83.22 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	359.47
LogP ≤ 5	3.38
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl N-[(2S)-1-[[(2R)-butan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate?

The IUPAC name of 2-methylpropyl N-[(2S)-1-[[(2R)-butan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate (CID 40575884) is 2-methylpropyl N-[(2S)-1-[[(2R)-butan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate.

What is the SMILES notation for 2-methylpropyl N-[(2S)-1-[[(2R)-butan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate?

The canonical SMILES for 2-methylpropyl N-[(2S)-1-[[(2R)-butan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate is CC[C@@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCC(C)C.

What is the InChIKey of 2-methylpropyl N-[(2S)-1-[[(2R)-butan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate?

The InChIKey is HKZDBUSCSNJSDE-KDOFPFPSSA-N. The full InChI is InChI=1S/C20H29N3O3/c1-5-14(4)22-19(24)18(23-20(25)26-12-13(2)3)10-15-11-21-17-9-7-6-8-16(15)17/h6-9,11,13-14,18,21H,5,10,12H2,1-4H3,(H,22,24)(H,23,25)/t14-,18+/m1/s1.

What are the key properties of 2-methylpropyl N-[(2S)-1-[[(2R)-butan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate?

2-methylpropyl N-[(2S)-1-[[(2R)-butan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate has a molecular weight of 359.47 g/mol, XLogP of 3.38, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methylpropyl N-[(2S)-1-[[(2R)-butan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate is sourced from PubChem (CID 40575884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).