2-(2,2,4-trimethylpentylamino)acetic acid

C10H21NO2 — CID 91434481

IUPAC2-(2,2,4-trimethylpentylamino)acetic acid
SMILESCC(C)CC(C)(C)CNCC(=O)O
InChIInChI=1S/C10H21NO2/c1-8(2)5-10(3,4)7-11-6-9(12)13/h8,11H,5-7H2,1-4H3,(H,12,13)
InChIKeyKKXHJTDIADHIJP-UHFFFAOYSA-N
MW187.28 g/mol
LogP1.73
Rot. Bonds6

About 2-(2,2,4-trimethylpentylamino)acetic acid

2-(2,2,4-trimethylpentylamino)acetic acid (PubChem CID 91434481) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is 2-(2,2,4-trimethylpentylamino)acetic acid.

Molecular Properties

Compound Name2-(2,2,4-trimethylpentylamino)acetic acid
PubChem CID91434481
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name2-(2,2,4-trimethylpentylamino)acetic acid
SMILESCC(C)CC(C)(C)CNCC(=O)O
InChIInChI=1S/C10H21NO2/c1-8(2)5-10(3,4)7-11-6-9(12)13/h8,11H,5-7H2,1-4H3,(H,12,13)
InChIKeyKKXHJTDIADHIJP-UHFFFAOYSA-N
XLogP1.73
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2,4-trimethylpentylamino)acetic acid?
The IUPAC name of 2-(2,2,4-trimethylpentylamino)acetic acid (CID 91434481) is 2-(2,2,4-trimethylpentylamino)acetic acid.
What is the SMILES notation for 2-(2,2,4-trimethylpentylamino)acetic acid?
The canonical SMILES for 2-(2,2,4-trimethylpentylamino)acetic acid is CC(C)CC(C)(C)CNCC(=O)O.
What is the InChIKey of 2-(2,2,4-trimethylpentylamino)acetic acid?
The InChIKey is KKXHJTDIADHIJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-8(2)5-10(3,4)7-11-6-9(12)13/h8,11H,5-7H2,1-4H3,(H,12,13).
What are the key properties of 2-(2,2,4-trimethylpentylamino)acetic acid?
2-(2,2,4-trimethylpentylamino)acetic acid has a molecular weight of 187.28 g/mol, XLogP of 1.73, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,4-trimethylpentylamino)acetic acid is sourced from PubChem (CID 91434481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).