(2R)-4-amino-2-[[(2S,3R)-2-[[(2S)-2,4-diaminobutanoyl]amino]-3-hydroxybutanoyl]amino]butanoic acid

C12H25N5O5 — CID 175902010

About (2R)-4-amino-2-[[(2S,3R)-2-[[(2S)-2,4-diaminobutanoyl]amino]-3-hydroxybutanoyl]amino]butanoic acid

(2R)-4-amino-2-[[(2S,3R)-2-[[(2S)-2,4-diaminobutanoyl]amino]-3-hydroxybutanoyl]amino]butanoic acid (PubChem CID 175902010) has the molecular formula C12H25N5O5 and a molecular weight of 319.36 g/mol. Its IUPAC name is (2R)-4-amino-2-[[(2S,3R)-2-[[(2S)-2,4-diaminobutanoyl]amino]-3-hydroxybutanoyl]amino]butanoic acid.

Molecular Properties

• Compound Name: (2R)-4-amino-2-[[(2S,3R)-2-[[(2S)-2,4-diaminobutanoyl]amino]-3-hydroxybutanoyl]amino]butanoic acid
• PubChem CID: 175902010
• Molecular Formula: C12H25N5O5
• Molecular Weight: 319.36 g/mol
• Exact Mass: 319.19
• IUPAC Name: (2R)-4-amino-2-[[(2S,3R)-2-[[(2S)-2,4-diaminobutanoyl]amino]-3-hydroxybutanoyl]amino]butanoic acid
• SMILES: C[C@@H](O)[C@H](NC(=O)[C@@H](N)CCN)C(=O)N[C@H](CCN)C(=O)O
• InChI: InChI=1S/C12H25N5O5/c1-6(18)9(17-10(19)7(15)2-4-13)11(20)16-8(3-5-14)12(21)22/h6-9,18H,2-5,13-15H2,1H3,(H,16,20)(H,17,19)(H,21,22)/t6-,7+,8-,9+/m1/s1
• InChIKey: JATAKDAOHMIJNF-XAVMHZPKSA-N
• XLogP: -3.55
• TPSA: 193.79 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	319.36
LogP ≤ 5	-3.55
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (2R)-4-amino-2-[[(2S,3R)-2-[[(2S)-2,4-diaminobutanoyl]amino]-3-hydroxybutanoyl]amino]butanoic acid?

The IUPAC name of (2R)-4-amino-2-[[(2S,3R)-2-[[(2S)-2,4-diaminobutanoyl]amino]-3-hydroxybutanoyl]amino]butanoic acid (CID 175902010) is (2R)-4-amino-2-[[(2S,3R)-2-[[(2S)-2,4-diaminobutanoyl]amino]-3-hydroxybutanoyl]amino]butanoic acid.

What is the SMILES notation for (2R)-4-amino-2-[[(2S,3R)-2-[[(2S)-2,4-diaminobutanoyl]amino]-3-hydroxybutanoyl]amino]butanoic acid?

The canonical SMILES for (2R)-4-amino-2-[[(2S,3R)-2-[[(2S)-2,4-diaminobutanoyl]amino]-3-hydroxybutanoyl]amino]butanoic acid is C[C@@H](O)[C@H](NC(=O)[C@@H](N)CCN)C(=O)N[C@H](CCN)C(=O)O.

What is the InChIKey of (2R)-4-amino-2-[[(2S,3R)-2-[[(2S)-2,4-diaminobutanoyl]amino]-3-hydroxybutanoyl]amino]butanoic acid?

The InChIKey is JATAKDAOHMIJNF-XAVMHZPKSA-N. The full InChI is InChI=1S/C12H25N5O5/c1-6(18)9(17-10(19)7(15)2-4-13)11(20)16-8(3-5-14)12(21)22/h6-9,18H,2-5,13-15H2,1H3,(H,16,20)(H,17,19)(H,21,22)/t6-,7+,8-,9+/m1/s1.

What are the key properties of (2R)-4-amino-2-[[(2S,3R)-2-[[(2S)-2,4-diaminobutanoyl]amino]-3-hydroxybutanoyl]amino]butanoic acid?

(2R)-4-amino-2-[[(2S,3R)-2-[[(2S)-2,4-diaminobutanoyl]amino]-3-hydroxybutanoyl]amino]butanoic acid has a molecular weight of 319.36 g/mol, XLogP of -3.55, 10 rotatable bonds, 7 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-4-amino-2-[[(2S,3R)-2-[[(2S)-2,4-diaminobutanoyl]amino]-3-hydroxybutanoyl]amino]butanoic acid is sourced from PubChem (CID 175902010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).