[(2S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-3-(carboxyamino)-1-oxopropan-2-yl]carbamic acid

C11H20N4O6 — CID 138591825

About [(2S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-3-(carboxyamino)-1-oxopropan-2-yl]carbamic acid

[(2S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-3-(carboxyamino)-1-oxopropan-2-yl]carbamic acid (PubChem CID 138591825) has the molecular formula C11H20N4O6 and a molecular weight of 304.30 g/mol. Its IUPAC name is [(2S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-3-(carboxyamino)-1-oxopropan-2-yl]carbamic acid.

Molecular Properties

• Compound Name: [(2S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-3-(carboxyamino)-1-oxopropan-2-yl]carbamic acid
• PubChem CID: 138591825
• Molecular Formula: C11H20N4O6
• Molecular Weight: 304.30 g/mol
• Exact Mass: 304.14
• IUPAC Name: [(2S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-3-(carboxyamino)-1-oxopropan-2-yl]carbamic acid
• SMILES: CC(C)C[C@H](NC(=O)[C@H](CNC(=O)O)NC(=O)O)C(N)=O
• InChI: InChI=1S/C11H20N4O6/c1-5(2)3-6(8(12)16)14-9(17)7(15-11(20)21)4-13-10(18)19/h5-7,13,15H,3-4H2,1-2H3,(H2,12,16)(H,14,17)(H,18,19)(H,20,21)/t6-,7-/m0/s1
• InChIKey: WZENMTWEVDKESM-BQBZGAKWSA-N
• XLogP: -1.09
• TPSA: 170.85 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	304.30
LogP ≤ 5	-1.09
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-3-(carboxyamino)-1-oxopropan-2-yl]carbamic acid?

The IUPAC name of [(2S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-3-(carboxyamino)-1-oxopropan-2-yl]carbamic acid (CID 138591825) is [(2S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-3-(carboxyamino)-1-oxopropan-2-yl]carbamic acid.

What is the SMILES notation for [(2S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-3-(carboxyamino)-1-oxopropan-2-yl]carbamic acid?

The canonical SMILES for [(2S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-3-(carboxyamino)-1-oxopropan-2-yl]carbamic acid is CC(C)C[C@H](NC(=O)[C@H](CNC(=O)O)NC(=O)O)C(N)=O.

What is the InChIKey of [(2S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-3-(carboxyamino)-1-oxopropan-2-yl]carbamic acid?

The InChIKey is WZENMTWEVDKESM-BQBZGAKWSA-N. The full InChI is InChI=1S/C11H20N4O6/c1-5(2)3-6(8(12)16)14-9(17)7(15-11(20)21)4-13-10(18)19/h5-7,13,15H,3-4H2,1-2H3,(H2,12,16)(H,14,17)(H,18,19)(H,20,21)/t6-,7-/m0/s1.

What are the key properties of [(2S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-3-(carboxyamino)-1-oxopropan-2-yl]carbamic acid?

[(2S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-3-(carboxyamino)-1-oxopropan-2-yl]carbamic acid has a molecular weight of 304.30 g/mol, XLogP of -1.09, 8 rotatable bonds, 6 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [(2S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-3-(carboxyamino)-1-oxopropan-2-yl]carbamic acid is sourced from PubChem (CID 138591825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).