(2S)-2-amino-5-[[(2S)-1-[[ethyl(hydroxy)phosphoryl]methylamino]-4-methyl-1-oxopentan-2-yl]amino]-5-oxopentanoic acid

C14H28N3O6P — CID 11717560

About (2S)-2-amino-5-[[(2S)-1-[[ethyl(hydroxy)phosphoryl]methylamino]-4-methyl-1-oxopentan-2-yl]amino]-5-oxopentanoic acid

(2S)-2-amino-5-[[(2S)-1-[[ethyl(hydroxy)phosphoryl]methylamino]-4-methyl-1-oxopentan-2-yl]amino]-5-oxopentanoic acid (PubChem CID 11717560) has the molecular formula C14H28N3O6P and a molecular weight of 365.37 g/mol. Its IUPAC name is (2S)-2-amino-5-[[(2S)-1-[[ethyl(hydroxy)phosphoryl]methylamino]-4-methyl-1-oxopentan-2-yl]amino]-5-oxopentanoic acid.

Molecular Properties

• Compound Name: (2S)-2-amino-5-[[(2S)-1-[[ethyl(hydroxy)phosphoryl]methylamino]-4-methyl-1-oxopentan-2-yl]amino]-5-oxopentanoic acid
• PubChem CID: 11717560
• Molecular Formula: C14H28N3O6P
• Molecular Weight: 365.37 g/mol
• Exact Mass: 365.17
• IUPAC Name: (2S)-2-amino-5-[[(2S)-1-[[ethyl(hydroxy)phosphoryl]methylamino]-4-methyl-1-oxopentan-2-yl]amino]-5-oxopentanoic acid
• SMILES: CCP(=O)(O)CNC(=O)[C@H](CC(C)C)NC(=O)CC[C@H](N)C(=O)O
• InChI: InChI=1S/C14H28N3O6P/c1-4-24(22,23)8-16-13(19)11(7-9(2)3)17-12(18)6-5-10(15)14(20)21/h9-11H,4-8,15H2,1-3H3,(H,16,19)(H,17,18)(H,20,21)(H,22,23)/t10-,11-/m0/s1
• InChIKey: VPPFCCYISGHXQN-QWRGUYRKSA-N
• XLogP: 0.07
• TPSA: 158.82 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 5
• Rotatable Bonds: 11
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	365.37
LogP ≤ 5	0.07
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-5-[[(2S)-1-[[ethyl(hydroxy)phosphoryl]methylamino]-4-methyl-1-oxopentan-2-yl]amino]-5-oxopentanoic acid?

The IUPAC name of (2S)-2-amino-5-[[(2S)-1-[[ethyl(hydroxy)phosphoryl]methylamino]-4-methyl-1-oxopentan-2-yl]amino]-5-oxopentanoic acid (CID 11717560) is (2S)-2-amino-5-[[(2S)-1-[[ethyl(hydroxy)phosphoryl]methylamino]-4-methyl-1-oxopentan-2-yl]amino]-5-oxopentanoic acid.

What is the SMILES notation for (2S)-2-amino-5-[[(2S)-1-[[ethyl(hydroxy)phosphoryl]methylamino]-4-methyl-1-oxopentan-2-yl]amino]-5-oxopentanoic acid?

The canonical SMILES for (2S)-2-amino-5-[[(2S)-1-[[ethyl(hydroxy)phosphoryl]methylamino]-4-methyl-1-oxopentan-2-yl]amino]-5-oxopentanoic acid is CCP(=O)(O)CNC(=O)[C@H](CC(C)C)NC(=O)CC[C@H](N)C(=O)O.

What is the InChIKey of (2S)-2-amino-5-[[(2S)-1-[[ethyl(hydroxy)phosphoryl]methylamino]-4-methyl-1-oxopentan-2-yl]amino]-5-oxopentanoic acid?

The InChIKey is VPPFCCYISGHXQN-QWRGUYRKSA-N. The full InChI is InChI=1S/C14H28N3O6P/c1-4-24(22,23)8-16-13(19)11(7-9(2)3)17-12(18)6-5-10(15)14(20)21/h9-11H,4-8,15H2,1-3H3,(H,16,19)(H,17,18)(H,20,21)(H,22,23)/t10-,11-/m0/s1.

What are the key properties of (2S)-2-amino-5-[[(2S)-1-[[ethyl(hydroxy)phosphoryl]methylamino]-4-methyl-1-oxopentan-2-yl]amino]-5-oxopentanoic acid?

(2S)-2-amino-5-[[(2S)-1-[[ethyl(hydroxy)phosphoryl]methylamino]-4-methyl-1-oxopentan-2-yl]amino]-5-oxopentanoic acid has a molecular weight of 365.37 g/mol, XLogP of 0.07, 11 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2-amino-5-[[(2S)-1-[[ethyl(hydroxy)phosphoryl]methylamino]-4-methyl-1-oxopentan-2-yl]amino]-5-oxopentanoic acid is sourced from PubChem (CID 11717560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).