2-[[(2S,3R)-2-[[(2S)-2-[(2-aminoacetyl)amino]-3-hydroxypropanoyl]amino]-3-hydroxybutanoyl]amino]acetic acid

C11H20N4O7 — CID 102240889

About 2-[[(2S,3R)-2-[[(2S)-2-[(2-aminoacetyl)amino]-3-hydroxypropanoyl]amino]-3-hydroxybutanoyl]amino]acetic acid

2-[[(2S,3R)-2-[[(2S)-2-[(2-aminoacetyl)amino]-3-hydroxypropanoyl]amino]-3-hydroxybutanoyl]amino]acetic acid (PubChem CID 102240889) has the molecular formula C11H20N4O7 and a molecular weight of 320.30 g/mol. Its IUPAC name is 2-[[(2S,3R)-2-[[(2S)-2-[(2-aminoacetyl)amino]-3-hydroxypropanoyl]amino]-3-hydroxybutanoyl]amino]acetic acid.

Molecular Properties

• Compound Name: 2-[[(2S,3R)-2-[[(2S)-2-[(2-aminoacetyl)amino]-3-hydroxypropanoyl]amino]-3-hydroxybutanoyl]amino]acetic acid
• PubChem CID: 102240889
• Molecular Formula: C11H20N4O7
• Molecular Weight: 320.30 g/mol
• Exact Mass: 320.13
• IUPAC Name: 2-[[(2S,3R)-2-[[(2S)-2-[(2-aminoacetyl)amino]-3-hydroxypropanoyl]amino]-3-hydroxybutanoyl]amino]acetic acid
• SMILES: C[C@@H](O)[C@H](NC(=O)[C@H](CO)NC(=O)CN)C(=O)NCC(=O)O
• InChI: InChI=1S/C11H20N4O7/c1-5(17)9(11(22)13-3-8(19)20)15-10(21)6(4-16)14-7(18)2-12/h5-6,9,16-17H,2-4,12H2,1H3,(H,13,22)(H,14,18)(H,15,21)(H,19,20)/t5-,6+,9+/m1/s1
• InChIKey: GDCZOEDNFYAJJG-JHEQGTHGSA-N
• XLogP: -4.51
• TPSA: 191.08 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	320.30
LogP ≤ 5	-4.51
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S,3R)-2-[[(2S)-2-[(2-aminoacetyl)amino]-3-hydroxypropanoyl]amino]-3-hydroxybutanoyl]amino]acetic acid?

The IUPAC name of 2-[[(2S,3R)-2-[[(2S)-2-[(2-aminoacetyl)amino]-3-hydroxypropanoyl]amino]-3-hydroxybutanoyl]amino]acetic acid (CID 102240889) is 2-[[(2S,3R)-2-[[(2S)-2-[(2-aminoacetyl)amino]-3-hydroxypropanoyl]amino]-3-hydroxybutanoyl]amino]acetic acid.

What is the SMILES notation for 2-[[(2S,3R)-2-[[(2S)-2-[(2-aminoacetyl)amino]-3-hydroxypropanoyl]amino]-3-hydroxybutanoyl]amino]acetic acid?

The canonical SMILES for 2-[[(2S,3R)-2-[[(2S)-2-[(2-aminoacetyl)amino]-3-hydroxypropanoyl]amino]-3-hydroxybutanoyl]amino]acetic acid is C[C@@H](O)[C@H](NC(=O)[C@H](CO)NC(=O)CN)C(=O)NCC(=O)O.

What is the InChIKey of 2-[[(2S,3R)-2-[[(2S)-2-[(2-aminoacetyl)amino]-3-hydroxypropanoyl]amino]-3-hydroxybutanoyl]amino]acetic acid?

The InChIKey is GDCZOEDNFYAJJG-JHEQGTHGSA-N. The full InChI is InChI=1S/C11H20N4O7/c1-5(17)9(11(22)13-3-8(19)20)15-10(21)6(4-16)14-7(18)2-12/h5-6,9,16-17H,2-4,12H2,1H3,(H,13,22)(H,14,18)(H,15,21)(H,19,20)/t5-,6+,9+/m1/s1.

What are the key properties of 2-[[(2S,3R)-2-[[(2S)-2-[(2-aminoacetyl)amino]-3-hydroxypropanoyl]amino]-3-hydroxybutanoyl]amino]acetic acid?

2-[[(2S,3R)-2-[[(2S)-2-[(2-aminoacetyl)amino]-3-hydroxypropanoyl]amino]-3-hydroxybutanoyl]amino]acetic acid has a molecular weight of 320.30 g/mol, XLogP of -4.51, 9 rotatable bonds, 7 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[(2S,3R)-2-[[(2S)-2-[(2-aminoacetyl)amino]-3-hydroxypropanoyl]amino]-3-hydroxybutanoyl]amino]acetic acid is sourced from PubChem (CID 102240889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).