2-[[2-[[(2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]acetic acid

C16H30N4O5 — CID 57336280

IUPAC2-[[2-[[(2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]acetic acid
SMILESCC(C)C[C@H](NC(=O)[C@@H](N)CC(C)C)C(=O)NCC(=O)NCC(=O)O
InChIInChI=1S/C16H30N4O5/c1-9(2)5-11(17)15(24)20-12(6-10(3)4)16(25)19-7-13(21)18-8-14(22)23/h9-12H,5-8,17H2,1-4H3,(H,18,21)(H,19,25)(H,20,24)(H,22,23)/t11-,12-/m0/s1
InChIKeyVGZXJHMCLQYFOC-RYUDHWBXSA-N
MW358.44 g/mol
LogP-0.79
Rot. Bonds11

About 2-[[2-[[(2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]acetic acid

2-[[2-[[(2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]acetic acid (PubChem CID 57336280) has the molecular formula C16H30N4O5 and a molecular weight of 358.44 g/mol. Its IUPAC name is 2-[[2-[[(2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-[[(2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]acetic acid
PubChem CID57336280
Molecular FormulaC16H30N4O5
Molecular Weight358.44 g/mol
Exact Mass358.22
IUPAC Name2-[[2-[[(2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]acetic acid
SMILESCC(C)C[C@H](NC(=O)[C@@H](N)CC(C)C)C(=O)NCC(=O)NCC(=O)O
InChIInChI=1S/C16H30N4O5/c1-9(2)5-11(17)15(24)20-12(6-10(3)4)16(25)19-7-13(21)18-8-14(22)23/h9-12H,5-8,17H2,1-4H3,(H,18,21)(H,19,25)(H,20,24)(H,22,23)/t11-,12-/m0/s1
InChIKeyVGZXJHMCLQYFOC-RYUDHWBXSA-N
XLogP-0.79
TPSA150.62 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 5-0.79
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Analyze 2-[[2-[[(2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]acetic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[[(2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-[[(2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]acetic acid (CID 57336280) is 2-[[2-[[(2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-[[(2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-[[(2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]acetic acid is CC(C)C[C@H](NC(=O)[C@@H](N)CC(C)C)C(=O)NCC(=O)NCC(=O)O.
What is the InChIKey of 2-[[2-[[(2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]acetic acid?
The InChIKey is VGZXJHMCLQYFOC-RYUDHWBXSA-N. The full InChI is InChI=1S/C16H30N4O5/c1-9(2)5-11(17)15(24)20-12(6-10(3)4)16(25)19-7-13(21)18-8-14(22)23/h9-12H,5-8,17H2,1-4H3,(H,18,21)(H,19,25)(H,20,24)(H,22,23)/t11-,12-/m0/s1.
What are the key properties of 2-[[2-[[(2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]acetic acid?
2-[[2-[[(2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]acetic acid has a molecular weight of 358.44 g/mol, XLogP of -0.79, 11 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[[(2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]acetic acid is sourced from PubChem (CID 57336280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).