2-[2-methylpropyl-[2-(oxan-4-yl)propanoyl]amino]acetic acid

C14H25NO4 — CID 120686043

IUPAC2-[2-methylpropyl-[2-(oxan-4-yl)propanoyl]amino]acetic acid
SMILESCC(C)CN(CC(=O)O)C(=O)C(C)C1CCOCC1
InChIInChI=1S/C14H25NO4/c1-10(2)8-15(9-13(16)17)14(18)11(3)12-4-6-19-7-5-12/h10-12H,4-9H2,1-3H3,(H,16,17)
InChIKeyAAXPRWSMFNWZEE-UHFFFAOYSA-N
MW271.36 g/mol
LogP1.62
Rot. Bonds6

About 2-[2-methylpropyl-[2-(oxan-4-yl)propanoyl]amino]acetic acid

2-[2-methylpropyl-[2-(oxan-4-yl)propanoyl]amino]acetic acid (PubChem CID 120686043) has the molecular formula C14H25NO4 and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-[2-methylpropyl-[2-(oxan-4-yl)propanoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[2-methylpropyl-[2-(oxan-4-yl)propanoyl]amino]acetic acid
PubChem CID120686043
Molecular FormulaC14H25NO4
Molecular Weight271.36 g/mol
Exact Mass271.18
IUPAC Name2-[2-methylpropyl-[2-(oxan-4-yl)propanoyl]amino]acetic acid
SMILESCC(C)CN(CC(=O)O)C(=O)C(C)C1CCOCC1
InChIInChI=1S/C14H25NO4/c1-10(2)8-15(9-13(16)17)14(18)11(3)12-4-6-19-7-5-12/h10-12H,4-9H2,1-3H3,(H,16,17)
InChIKeyAAXPRWSMFNWZEE-UHFFFAOYSA-N
XLogP1.62
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-chlorophenyl)methyl-[2-(oxan-4-yl)propanoyl]amino]acetic acid
CID 120686069
2-[(3-cyclopentyl-2-methylpropanoyl)-(2-methylpropyl)amino]acetic acid
CID 119192685
2-[[methyl(oxan-3-ylmethyl)carbamoyl]-(2-methylpropyl)amino]acetic acid
CID 63706388
2-[2-methylpropyl-[4-(oxan-4-yl)butyl]amino]acetic acid
CID 114191542
N-(3-amino-3-sulfanylidenepropyl)-2-cyclopropyl-N-(2-methylpropyl)propanamide
CID 83154407
3-[carboxymethyl(oxan-4-yl)amino]-2-methyl-3-oxopropanoic acid
CID 166239721
2-[2-methylpropyl-(5-oxopyrrolidine-2-carbonyl)amino]acetic acid
CID 63072039
2-[3-methylbutanoyl(2-methylpropyl)amino]acetic acid
CID 62033717
2-[(2-methyl-3-methylsulfanylpropanoyl)-(2-methylpropyl)amino]acetic acid
CID 115730558
2-[2-methylpropyl(2-methylsulfonylpropanoyl)amino]acetic acid
CID 115730555
2-[2-methylpropyl-(3-methylpyrrolidine-1-carbonyl)amino]acetic acid
CID 63064206
2-[(2-methylcyclopentanecarbonyl)-(2-methylpropyl)amino]acetic acid
CID 107175437

Frequently Asked Questions

What is the IUPAC name of 2-[2-methylpropyl-[2-(oxan-4-yl)propanoyl]amino]acetic acid?
The IUPAC name of 2-[2-methylpropyl-[2-(oxan-4-yl)propanoyl]amino]acetic acid (CID 120686043) is 2-[2-methylpropyl-[2-(oxan-4-yl)propanoyl]amino]acetic acid.
What is the SMILES notation for 2-[2-methylpropyl-[2-(oxan-4-yl)propanoyl]amino]acetic acid?
The canonical SMILES for 2-[2-methylpropyl-[2-(oxan-4-yl)propanoyl]amino]acetic acid is CC(C)CN(CC(=O)O)C(=O)C(C)C1CCOCC1.
What is the InChIKey of 2-[2-methylpropyl-[2-(oxan-4-yl)propanoyl]amino]acetic acid?
The InChIKey is AAXPRWSMFNWZEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO4/c1-10(2)8-15(9-13(16)17)14(18)11(3)12-4-6-19-7-5-12/h10-12H,4-9H2,1-3H3,(H,16,17).
What are the key properties of 2-[2-methylpropyl-[2-(oxan-4-yl)propanoyl]amino]acetic acid?
2-[2-methylpropyl-[2-(oxan-4-yl)propanoyl]amino]acetic acid has a molecular weight of 271.36 g/mol, XLogP of 1.62, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methylpropyl-[2-(oxan-4-yl)propanoyl]amino]acetic acid is sourced from PubChem (CID 120686043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).