2-(3-methylbutanoylamino)acetic acid

C7H13NO3 — CID 546304

IUPAC2-(3-methylbutanoylamino)acetic acid
SMILESCC(C)CC(=O)NCC(=O)O
InChIInChI=1S/C7H13NO3/c1-5(2)3-6(9)8-4-7(10)11/h5H,3-4H2,1-2H3,(H,8,9)(H,10,11)
InChIKeyZRQXMKMBBMNNQC-UHFFFAOYSA-N
MW159.18 g/mol
LogP0.23
Rot. Bonds4

About 2-(3-methylbutanoylamino)acetic acid

2-(3-methylbutanoylamino)acetic acid (PubChem CID 546304) has the molecular formula C7H13NO3 and a molecular weight of 159.18 g/mol. Its IUPAC name is 2-(3-methylbutanoylamino)acetic acid.

Molecular Properties

Compound Name2-(3-methylbutanoylamino)acetic acid
PubChem CID546304
Molecular FormulaC7H13NO3
Molecular Weight159.18 g/mol
Exact Mass159.09
IUPAC Name2-(3-methylbutanoylamino)acetic acid
SMILESCC(C)CC(=O)NCC(=O)O
InChIInChI=1S/C7H13NO3/c1-5(2)3-6(9)8-4-7(10)11/h5H,3-4H2,1-2H3,(H,8,9)(H,10,11)
InChIKeyZRQXMKMBBMNNQC-UHFFFAOYSA-N
XLogP0.23
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.18
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylbutanoylamino)acetic acid?
The IUPAC name of 2-(3-methylbutanoylamino)acetic acid (CID 546304) is 2-(3-methylbutanoylamino)acetic acid.
What is the SMILES notation for 2-(3-methylbutanoylamino)acetic acid?
The canonical SMILES for 2-(3-methylbutanoylamino)acetic acid is CC(C)CC(=O)NCC(=O)O.
What is the InChIKey of 2-(3-methylbutanoylamino)acetic acid?
The InChIKey is ZRQXMKMBBMNNQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3/c1-5(2)3-6(9)8-4-7(10)11/h5H,3-4H2,1-2H3,(H,8,9)(H,10,11).
What are the key properties of 2-(3-methylbutanoylamino)acetic acid?
2-(3-methylbutanoylamino)acetic acid has a molecular weight of 159.18 g/mol, XLogP of 0.23, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylbutanoylamino)acetic acid is sourced from PubChem (CID 546304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).