2-(pentanoylamino)acetic acid

C7H13NO3 — CID 4737557

IUPAC2-(pentanoylamino)acetic acid
SMILESCCCCC(=O)NCC(=O)O
InChIInChI=1S/C7H13NO3/c1-2-3-4-6(9)8-5-7(10)11/h2-5H2,1H3,(H,8,9)(H,10,11)
InChIKeyNYZBWOSRZJKQAI-UHFFFAOYSA-N
MW159.18 g/mol
LogP0.38
Rot. Bonds5

About 2-(pentanoylamino)acetic acid

2-(pentanoylamino)acetic acid (PubChem CID 4737557) has the molecular formula C7H13NO3 and a molecular weight of 159.18 g/mol. Its IUPAC name is 2-(pentanoylamino)acetic acid.

Molecular Properties

Compound Name2-(pentanoylamino)acetic acid
PubChem CID4737557
Molecular FormulaC7H13NO3
Molecular Weight159.18 g/mol
Exact Mass159.09
IUPAC Name2-(pentanoylamino)acetic acid
SMILESCCCCC(=O)NCC(=O)O
InChIInChI=1S/C7H13NO3/c1-2-3-4-6(9)8-5-7(10)11/h2-5H2,1H3,(H,8,9)(H,10,11)
InChIKeyNYZBWOSRZJKQAI-UHFFFAOYSA-N
XLogP0.38
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.18
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-Methylbutyrylglycine
CID 193872
Isobutyrylglycine
CID 10855600
N-Acetyl-L-ornithine
CID 439232
Capryloyl Glycine
CID 84290
Hexanoylglycine
CID 99463
Butyrylglycine
CID 88412
N-Isovaleroylglycine
CID 546304
N-Myristoylglycine
CID 72348
Propionylglycine
CID 98681
N-Lauroylglycine
CID 346152
N-Undecanoylglycine
CID 454092
Glycine, N,N'-(1,6-dioxo-1,6-hexanediyl)bis-
CID 2727858

Frequently Asked Questions

What is the IUPAC name of 2-(pentanoylamino)acetic acid?
The IUPAC name of 2-(pentanoylamino)acetic acid (CID 4737557) is 2-(pentanoylamino)acetic acid.
What is the SMILES notation for 2-(pentanoylamino)acetic acid?
The canonical SMILES for 2-(pentanoylamino)acetic acid is CCCCC(=O)NCC(=O)O.
What is the InChIKey of 2-(pentanoylamino)acetic acid?
The InChIKey is NYZBWOSRZJKQAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3/c1-2-3-4-6(9)8-5-7(10)11/h2-5H2,1H3,(H,8,9)(H,10,11).
What are the key properties of 2-(pentanoylamino)acetic acid?
2-(pentanoylamino)acetic acid has a molecular weight of 159.18 g/mol, XLogP of 0.38, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pentanoylamino)acetic acid is sourced from PubChem (CID 4737557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).