2-[tert-butyl-[2-methylpropyl(pentan-3-yl)carbamoyl]amino]acetic acid

C16H32N2O3 — CID 79488647

IUPAC2-[tert-butyl-[2-methylpropyl(pentan-3-yl)carbamoyl]amino]acetic acid
SMILESCCC(CC)N(CC(C)C)C(=O)N(CC(=O)O)C(C)(C)C
InChIInChI=1S/C16H32N2O3/c1-8-13(9-2)17(10-12(3)4)15(21)18(11-14(19)20)16(5,6)7/h12-13H,8-11H2,1-7H3,(H,19,20)
InChIKeyBHDYXIFVEMLSSZ-UHFFFAOYSA-N
MW300.44 g/mol
LogP3.44
Rot. Bonds7

About 2-[tert-butyl-[2-methylpropyl(pentan-3-yl)carbamoyl]amino]acetic acid

2-[tert-butyl-[2-methylpropyl(pentan-3-yl)carbamoyl]amino]acetic acid (PubChem CID 79488647) has the molecular formula C16H32N2O3 and a molecular weight of 300.44 g/mol. Its IUPAC name is 2-[tert-butyl-[2-methylpropyl(pentan-3-yl)carbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[tert-butyl-[2-methylpropyl(pentan-3-yl)carbamoyl]amino]acetic acid
PubChem CID79488647
Molecular FormulaC16H32N2O3
Molecular Weight300.44 g/mol
Exact Mass300.24
IUPAC Name2-[tert-butyl-[2-methylpropyl(pentan-3-yl)carbamoyl]amino]acetic acid
SMILESCCC(CC)N(CC(C)C)C(=O)N(CC(=O)O)C(C)(C)C
InChIInChI=1S/C16H32N2O3/c1-8-13(9-2)17(10-12(3)4)15(21)18(11-14(19)20)16(5,6)7/h12-13H,8-11H2,1-7H3,(H,19,20)
InChIKeyBHDYXIFVEMLSSZ-UHFFFAOYSA-N
XLogP3.44
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.44
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[tert-butyl-[2-methylpropyl(pentan-3-yl)carbamoyl]amino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[(2-amino-2-oxoethyl)-(2-methylpropyl)carbamoyl]-tert-butylamino]acetic acid
CID 79257345
2-[[(2-amino-2-oxoethyl)-propan-2-ylcarbamoyl]-tert-butylamino]acetic acid
CID 79256681
(2R)-2-amino-3,3-dimethyl-N-(2-methylpropyl)-N-pentan-3-ylbutanamide
CID 103930183
2-[tert-butyl-[2-methoxyethyl(2-methylpropyl)carbamoyl]amino]acetic acid
CID 79257428
3-[cyclopropyl-[2-methylpropyl(pentan-3-yl)carbamoyl]amino]propanoic acid
CID 79490093
2-[[2-hydroxyethyl(pentan-3-yl)carbamoyl]-(2-methylpropyl)amino]acetic acid
CID 63064052
2-[2-[2-methylpropyl(pentan-3-yl)amino]-2-oxoethoxy]acetic acid
CID 79484032
1-[2-methylpropyl(pentan-3-yl)carbamoyl]azetidine-3-carboxylic acid
CID 79491050
3-amino-4-[2-methylpropyl(pentan-3-yl)amino]-4-oxobutanoic acid
CID 79490276
2-[tert-butyl-(4-propan-2-ylpiperidine-1-carbonyl)amino]acetic acid
CID 103500285
2-[tert-butyl-[ethyl(propyl)carbamoyl]amino]acetic acid
CID 79256991
2-[butan-2-yl(2-methylpropyl)amino]acetic acid
CID 60835163

Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl-[2-methylpropyl(pentan-3-yl)carbamoyl]amino]acetic acid?
The IUPAC name of 2-[tert-butyl-[2-methylpropyl(pentan-3-yl)carbamoyl]amino]acetic acid (CID 79488647) is 2-[tert-butyl-[2-methylpropyl(pentan-3-yl)carbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[tert-butyl-[2-methylpropyl(pentan-3-yl)carbamoyl]amino]acetic acid?
The canonical SMILES for 2-[tert-butyl-[2-methylpropyl(pentan-3-yl)carbamoyl]amino]acetic acid is CCC(CC)N(CC(C)C)C(=O)N(CC(=O)O)C(C)(C)C.
What is the InChIKey of 2-[tert-butyl-[2-methylpropyl(pentan-3-yl)carbamoyl]amino]acetic acid?
The InChIKey is BHDYXIFVEMLSSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O3/c1-8-13(9-2)17(10-12(3)4)15(21)18(11-14(19)20)16(5,6)7/h12-13H,8-11H2,1-7H3,(H,19,20).
What are the key properties of 2-[tert-butyl-[2-methylpropyl(pentan-3-yl)carbamoyl]amino]acetic acid?
2-[tert-butyl-[2-methylpropyl(pentan-3-yl)carbamoyl]amino]acetic acid has a molecular weight of 300.44 g/mol, XLogP of 3.44, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl-[2-methylpropyl(pentan-3-yl)carbamoyl]amino]acetic acid is sourced from PubChem (CID 79488647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).