2-[[(2S)-4-amino-2-[(2-aminoacetyl)amino]-4-oxobutanoyl]amino]acetic acid

C8H14N4O5 — CID 3082443

IUPAC2-[[(2S)-4-amino-2-[(2-aminoacetyl)amino]-4-oxobutanoyl]amino]acetic acid
SMILESNCC(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)O
InChIInChI=1S/C8H14N4O5/c9-2-6(14)12-4(1-5(10)13)8(17)11-3-7(15)16/h4H,1-3,9H2,(H2,10,13)(H,11,17)(H,12,14)(H,15,16)/t4-/m0/s1
InChIKeyGGEJHJIXRBTJPD-BYPYZUCNSA-N
MW246.22 g/mol
LogP-3.49
Rot. Bonds7

About 2-[[(2S)-4-amino-2-[(2-aminoacetyl)amino]-4-oxobutanoyl]amino]acetic acid

2-[[(2S)-4-amino-2-[(2-aminoacetyl)amino]-4-oxobutanoyl]amino]acetic acid (PubChem CID 3082443) has the molecular formula C8H14N4O5 and a molecular weight of 246.22 g/mol. Its IUPAC name is 2-[[(2S)-4-amino-2-[(2-aminoacetyl)amino]-4-oxobutanoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[(2S)-4-amino-2-[(2-aminoacetyl)amino]-4-oxobutanoyl]amino]acetic acid
PubChem CID3082443
Molecular FormulaC8H14N4O5
Molecular Weight246.22 g/mol
Exact Mass246.10
IUPAC Name2-[[(2S)-4-amino-2-[(2-aminoacetyl)amino]-4-oxobutanoyl]amino]acetic acid
SMILESNCC(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)O
InChIInChI=1S/C8H14N4O5/c9-2-6(14)12-4(1-5(10)13)8(17)11-3-7(15)16/h4H,1-3,9H2,(H2,10,13)(H,11,17)(H,12,14)(H,15,16)/t4-/m0/s1
InChIKeyGGEJHJIXRBTJPD-BYPYZUCNSA-N
XLogP-3.49
TPSA164.61 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.22
LogP ≤ 5-3.49
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-4-amino-2-[(2-aminoacetyl)amino]-4-oxobutanoyl]amino]acetic acid?
The IUPAC name of 2-[[(2S)-4-amino-2-[(2-aminoacetyl)amino]-4-oxobutanoyl]amino]acetic acid (CID 3082443) is 2-[[(2S)-4-amino-2-[(2-aminoacetyl)amino]-4-oxobutanoyl]amino]acetic acid.
What is the SMILES notation for 2-[[(2S)-4-amino-2-[(2-aminoacetyl)amino]-4-oxobutanoyl]amino]acetic acid?
The canonical SMILES for 2-[[(2S)-4-amino-2-[(2-aminoacetyl)amino]-4-oxobutanoyl]amino]acetic acid is NCC(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)O.
What is the InChIKey of 2-[[(2S)-4-amino-2-[(2-aminoacetyl)amino]-4-oxobutanoyl]amino]acetic acid?
The InChIKey is GGEJHJIXRBTJPD-BYPYZUCNSA-N. The full InChI is InChI=1S/C8H14N4O5/c9-2-6(14)12-4(1-5(10)13)8(17)11-3-7(15)16/h4H,1-3,9H2,(H2,10,13)(H,11,17)(H,12,14)(H,15,16)/t4-/m0/s1.
What are the key properties of 2-[[(2S)-4-amino-2-[(2-aminoacetyl)amino]-4-oxobutanoyl]amino]acetic acid?
2-[[(2S)-4-amino-2-[(2-aminoacetyl)amino]-4-oxobutanoyl]amino]acetic acid has a molecular weight of 246.22 g/mol, XLogP of -3.49, 7 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-4-amino-2-[(2-aminoacetyl)amino]-4-oxobutanoyl]amino]acetic acid is sourced from PubChem (CID 3082443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).