2-[tert-butyl(3-ethylpentan-3-ylcarbamoyl)amino]acetic acid

C14H28N2O3 — CID 79256452

IUPAC2-[tert-butyl(3-ethylpentan-3-ylcarbamoyl)amino]acetic acid
SMILESCCC(CC)(CC)NC(=O)N(CC(=O)O)C(C)(C)C
InChIInChI=1S/C14H28N2O3/c1-7-14(8-2,9-3)15-12(19)16(10-11(17)18)13(4,5)6/h7-10H2,1-6H3,(H,15,19)(H,17,18)
InChIKeyNYPWVZZRQKTIMJ-UHFFFAOYSA-N
MW272.39 g/mol
LogP2.85
Rot. Bonds6

About 2-[tert-butyl(3-ethylpentan-3-ylcarbamoyl)amino]acetic acid

2-[tert-butyl(3-ethylpentan-3-ylcarbamoyl)amino]acetic acid (PubChem CID 79256452) has the molecular formula C14H28N2O3 and a molecular weight of 272.39 g/mol. Its IUPAC name is 2-[tert-butyl(3-ethylpentan-3-ylcarbamoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[tert-butyl(3-ethylpentan-3-ylcarbamoyl)amino]acetic acid
PubChem CID79256452
Molecular FormulaC14H28N2O3
Molecular Weight272.39 g/mol
Exact Mass272.21
IUPAC Name2-[tert-butyl(3-ethylpentan-3-ylcarbamoyl)amino]acetic acid
SMILESCCC(CC)(CC)NC(=O)N(CC(=O)O)C(C)(C)C
InChIInChI=1S/C14H28N2O3/c1-7-14(8-2,9-3)15-12(19)16(10-11(17)18)13(4,5)6/h7-10H2,1-6H3,(H,15,19)(H,17,18)
InChIKeyNYPWVZZRQKTIMJ-UHFFFAOYSA-N
XLogP2.85
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl(3-ethylpentan-3-ylcarbamoyl)amino]acetic acid?
The IUPAC name of 2-[tert-butyl(3-ethylpentan-3-ylcarbamoyl)amino]acetic acid (CID 79256452) is 2-[tert-butyl(3-ethylpentan-3-ylcarbamoyl)amino]acetic acid.
What is the SMILES notation for 2-[tert-butyl(3-ethylpentan-3-ylcarbamoyl)amino]acetic acid?
The canonical SMILES for 2-[tert-butyl(3-ethylpentan-3-ylcarbamoyl)amino]acetic acid is CCC(CC)(CC)NC(=O)N(CC(=O)O)C(C)(C)C.
What is the InChIKey of 2-[tert-butyl(3-ethylpentan-3-ylcarbamoyl)amino]acetic acid?
The InChIKey is NYPWVZZRQKTIMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3/c1-7-14(8-2,9-3)15-12(19)16(10-11(17)18)13(4,5)6/h7-10H2,1-6H3,(H,15,19)(H,17,18).
What are the key properties of 2-[tert-butyl(3-ethylpentan-3-ylcarbamoyl)amino]acetic acid?
2-[tert-butyl(3-ethylpentan-3-ylcarbamoyl)amino]acetic acid has a molecular weight of 272.39 g/mol, XLogP of 2.85, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl(3-ethylpentan-3-ylcarbamoyl)amino]acetic acid is sourced from PubChem (CID 79256452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).