[(2S)-1-[[(2S)-4-(cyclopropylamino)-3-hydroxy-4-oxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamic acid

C18H30N4O6 — CID 175379734

About [(2S)-1-[[(2S)-4-(cyclopropylamino)-3-hydroxy-4-oxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamic acid

[(2S)-1-[[(2S)-4-(cyclopropylamino)-3-hydroxy-4-oxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamic acid (PubChem CID 175379734) has the molecular formula C18H30N4O6 and a molecular weight of 398.46 g/mol. Its IUPAC name is [(2S)-1-[[(2S)-4-(cyclopropylamino)-3-hydroxy-4-oxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamic acid.

Molecular Properties

• Compound Name: [(2S)-1-[[(2S)-4-(cyclopropylamino)-3-hydroxy-4-oxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamic acid
• PubChem CID: 175379734
• Molecular Formula: C18H30N4O6
• Molecular Weight: 398.46 g/mol
• Exact Mass: 398.22
• IUPAC Name: [(2S)-1-[[(2S)-4-(cyclopropylamino)-3-hydroxy-4-oxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamic acid
• SMILES: CC(C)C[C@H](NC(=O)O)C(=O)N[C@@H](CC1CCNC1=O)C(O)C(=O)NC1CC1
• InChI: InChI=1S/C18H30N4O6/c1-9(2)7-13(22-18(27)28)16(25)21-12(8-10-5-6-19-15(10)24)14(23)17(26)20-11-3-4-11/h9-14,22-23H,3-8H2,1-2H3,(H,19,24)(H,20,26)(H,21,25)(H,27,28)/t10?,12-,13-,14?/m0/s1
• InChIKey: TVEYFCHLZWTURS-IFFXXYNGSA-N
• XLogP: -0.68
• TPSA: 156.86 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	398.46
LogP ≤ 5	-0.68
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-[[(2S)-4-(cyclopropylamino)-3-hydroxy-4-oxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamic acid?

The IUPAC name of [(2S)-1-[[(2S)-4-(cyclopropylamino)-3-hydroxy-4-oxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamic acid (CID 175379734) is [(2S)-1-[[(2S)-4-(cyclopropylamino)-3-hydroxy-4-oxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamic acid.

What is the SMILES notation for [(2S)-1-[[(2S)-4-(cyclopropylamino)-3-hydroxy-4-oxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamic acid?

The canonical SMILES for [(2S)-1-[[(2S)-4-(cyclopropylamino)-3-hydroxy-4-oxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamic acid is CC(C)C[C@H](NC(=O)O)C(=O)N[C@@H](CC1CCNC1=O)C(O)C(=O)NC1CC1.

What is the InChIKey of [(2S)-1-[[(2S)-4-(cyclopropylamino)-3-hydroxy-4-oxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamic acid?

The InChIKey is TVEYFCHLZWTURS-IFFXXYNGSA-N. The full InChI is InChI=1S/C18H30N4O6/c1-9(2)7-13(22-18(27)28)16(25)21-12(8-10-5-6-19-15(10)24)14(23)17(26)20-11-3-4-11/h9-14,22-23H,3-8H2,1-2H3,(H,19,24)(H,20,26)(H,21,25)(H,27,28)/t10?,12-,13-,14?/m0/s1.

What are the key properties of [(2S)-1-[[(2S)-4-(cyclopropylamino)-3-hydroxy-4-oxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamic acid?

[(2S)-1-[[(2S)-4-(cyclopropylamino)-3-hydroxy-4-oxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamic acid has a molecular weight of 398.46 g/mol, XLogP of -0.68, 10 rotatable bonds, 6 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [(2S)-1-[[(2S)-4-(cyclopropylamino)-3-hydroxy-4-oxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamic acid is sourced from PubChem (CID 175379734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).