2-[[2-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]acetyl]amino]acetic acid

C10H19N3O4 — CID 61161403

IUPAC2-[[2-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]acetyl]amino]acetic acid
SMILESCC(C)(C)[C@H](N)C(=O)NCC(=O)NCC(=O)O
InChIInChI=1S/C10H19N3O4/c1-10(2,3)8(11)9(17)13-4-6(14)12-5-7(15)16/h8H,4-5,11H2,1-3H3,(H,12,14)(H,13,17)(H,15,16)/t8-/m1/s1
InChIKeyFQKPQNMUHLUJRJ-MRVPVSSYSA-N
MW245.28 g/mol
LogP-1.32
Rot. Bonds5

About 2-[[2-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]acetyl]amino]acetic acid

2-[[2-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]acetyl]amino]acetic acid (PubChem CID 61161403) has the molecular formula C10H19N3O4 and a molecular weight of 245.28 g/mol. Its IUPAC name is 2-[[2-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]acetyl]amino]acetic acid
PubChem CID61161403
Molecular FormulaC10H19N3O4
Molecular Weight245.28 g/mol
Exact Mass245.14
IUPAC Name2-[[2-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]acetyl]amino]acetic acid
SMILESCC(C)(C)[C@H](N)C(=O)NCC(=O)NCC(=O)O
InChIInChI=1S/C10H19N3O4/c1-10(2,3)8(11)9(17)13-4-6(14)12-5-7(15)16/h8H,4-5,11H2,1-3H3,(H,12,14)(H,13,17)(H,15,16)/t8-/m1/s1
InChIKeyFQKPQNMUHLUJRJ-MRVPVSSYSA-N
XLogP-1.32
TPSA121.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 5-1.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 2-[[2-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]acetyl]amino]acetic acid with MolForge

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Related Compounds

Ala-Val
CID 96799
L-Leucyl-L-alanine
CID 81721
Val-Ala
CID 6992638
L-Valyl-L-valine
CID 107475
Glycyl-L-valine
CID 2724807
Leu-Gly
CID 97364
Ala-Ala-Ala
CID 5478845
Leucylglycine
CID 79070
Isoleucylglycine
CID 342532
AV zwitterion
CID 6992383
Glycylvaline
CID 97417
Leu-Gly-Gly
CID 70910

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]acetyl]amino]acetic acid (CID 61161403) is 2-[[2-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]acetyl]amino]acetic acid is CC(C)(C)[C@H](N)C(=O)NCC(=O)NCC(=O)O.
What is the InChIKey of 2-[[2-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]acetyl]amino]acetic acid?
The InChIKey is FQKPQNMUHLUJRJ-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H19N3O4/c1-10(2,3)8(11)9(17)13-4-6(14)12-5-7(15)16/h8H,4-5,11H2,1-3H3,(H,12,14)(H,13,17)(H,15,16)/t8-/m1/s1.
What are the key properties of 2-[[2-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]acetyl]amino]acetic acid?
2-[[2-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]acetyl]amino]acetic acid has a molecular weight of 245.28 g/mol, XLogP of -1.32, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]acetyl]amino]acetic acid is sourced from PubChem (CID 61161403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).