2-[butan-2-yl-(2-hydroxycyclopentyl)amino]acetic acid

C11H21NO3 — CID 60884187

IUPAC2-[butan-2-yl-(2-hydroxycyclopentyl)amino]acetic acid
SMILESCCC(C)N(CC(=O)O)C1CCCC1O
InChIInChI=1S/C11H21NO3/c1-3-8(2)12(7-11(14)15)9-5-4-6-10(9)13/h8-10,13H,3-7H2,1-2H3,(H,14,15)
InChIKeyZNECWNROYUWJTM-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.08
Rot. Bonds5

About 2-[butan-2-yl-(2-hydroxycyclopentyl)amino]acetic acid

2-[butan-2-yl-(2-hydroxycyclopentyl)amino]acetic acid (PubChem CID 60884187) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is 2-[butan-2-yl-(2-hydroxycyclopentyl)amino]acetic acid.

Molecular Properties

Compound Name2-[butan-2-yl-(2-hydroxycyclopentyl)amino]acetic acid
PubChem CID60884187
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name2-[butan-2-yl-(2-hydroxycyclopentyl)amino]acetic acid
SMILESCCC(C)N(CC(=O)O)C1CCCC1O
InChIInChI=1S/C11H21NO3/c1-3-8(2)12(7-11(14)15)9-5-4-6-10(9)13/h8-10,13H,3-7H2,1-2H3,(H,14,15)
InChIKeyZNECWNROYUWJTM-UHFFFAOYSA-N
XLogP1.08
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

trans-(1R,2R)-2-[butan-2-yl(ethyl)amino]cyclohexan-1-ol
CID 102731869
2-[(2-hydroxycyclopentyl)-methylamino]acetic acid
CID 60885872
2-[butan-2-yl(butyl)amino]cyclooctan-1-ol
CID 63473248
2-[cyclopentyl(3-methylpentan-2-yl)amino]acetic acid
CID 65058642
2-[butan-2-yl-(1-methylpiperidin-4-yl)amino]acetic acid
CID 65062596
2-[cyclopentyl(2-methylpentan-3-yl)amino]acetic acid
CID 65058785
2-[ethyl(propan-2-yl)amino]cyclohexan-1-ol
CID 60886338
trans-(1S,2S)-2-[2-methylpropyl(propan-2-yl)amino]cyclopentan-1-ol
CID 102734588
2-[ethyl(propan-2-yl)amino]cyclododecan-1-ol
CID 63470374
2-[cyclopentyl(4-methylpentan-2-yl)amino]acetic acid
CID 65058452
3-[ethyl-(2-hydroxycyclopentyl)amino]propanoic acid
CID 61011037
2-[butan-2-yl(6-oxaspiro[4.5]decan-9-yl)amino]acetic acid
CID 79894511

Frequently Asked Questions

What is the IUPAC name of 2-[butan-2-yl-(2-hydroxycyclopentyl)amino]acetic acid?
The IUPAC name of 2-[butan-2-yl-(2-hydroxycyclopentyl)amino]acetic acid (CID 60884187) is 2-[butan-2-yl-(2-hydroxycyclopentyl)amino]acetic acid.
What is the SMILES notation for 2-[butan-2-yl-(2-hydroxycyclopentyl)amino]acetic acid?
The canonical SMILES for 2-[butan-2-yl-(2-hydroxycyclopentyl)amino]acetic acid is CCC(C)N(CC(=O)O)C1CCCC1O.
What is the InChIKey of 2-[butan-2-yl-(2-hydroxycyclopentyl)amino]acetic acid?
The InChIKey is ZNECWNROYUWJTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-3-8(2)12(7-11(14)15)9-5-4-6-10(9)13/h8-10,13H,3-7H2,1-2H3,(H,14,15).
What are the key properties of 2-[butan-2-yl-(2-hydroxycyclopentyl)amino]acetic acid?
2-[butan-2-yl-(2-hydroxycyclopentyl)amino]acetic acid has a molecular weight of 215.29 g/mol, XLogP of 1.08, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butan-2-yl-(2-hydroxycyclopentyl)amino]acetic acid is sourced from PubChem (CID 60884187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).