2-cyclopropyl-2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]acetic acid

C11H19NO3 — CID 103267221

IUPAC2-cyclopropyl-2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]acetic acid
SMILESCC1(C)C(O)CC1NC(C(=O)O)C1CC1
InChIInChI=1S/C11H19NO3/c1-11(2)7(5-8(11)13)12-9(10(14)15)6-3-4-6/h6-9,12-13H,3-5H2,1-2H3,(H,14,15)
InChIKeyKYMBWQWROIQFPW-UHFFFAOYSA-N
MW213.28 g/mol
LogP0.60
Rot. Bonds4

About 2-cyclopropyl-2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]acetic acid

2-cyclopropyl-2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]acetic acid (PubChem CID 103267221) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 2-cyclopropyl-2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]acetic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]acetic acid
PubChem CID103267221
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name2-cyclopropyl-2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]acetic acid
SMILESCC1(C)C(O)CC1NC(C(=O)O)C1CC1
InChIInChI=1S/C11H19NO3/c1-11(2)7(5-8(11)13)12-9(10(14)15)6-3-4-6/h6-9,12-13H,3-5H2,1-2H3,(H,14,15)
InChIKeyKYMBWQWROIQFPW-UHFFFAOYSA-N
XLogP0.60
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]propanamide
CID 112633408
3-[[(1R)-1-cyclopentylethyl]amino]-2,2-dimethylcyclobutan-1-ol
CID 103948487
2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-2-phenylacetic acid
CID 112633963
methyl (2S)-2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]propanoate
CID 103948463
2-cyclopropyl-2-[(4-propan-2-ylcyclohexyl)amino]acetic acid
CID 65061416
2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-N-(methylcarbamoyl)propanamide
CID 114629453
2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]propane-1,3-diol
CID 112634110
2-cyclopropyl-2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]acetic acid
CID 65061467
methyl 2-cyclopropyl-2-[(2,2-dimethylcyclopropyl)amino]acetate
CID 103244098
2-cyclopropyl-2-[(3-methoxycyclobutyl)amino]acetic acid
CID 106824322
2-cyclopropyl-2-(methylamino)acetic acid;hydrochloride
CID 146194288
2-cyclopropyl-2-[(2,5-dimethylcyclohexyl)amino]acetic acid
CID 65060020

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]acetic acid?
The IUPAC name of 2-cyclopropyl-2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]acetic acid (CID 103267221) is 2-cyclopropyl-2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]acetic acid.
What is the SMILES notation for 2-cyclopropyl-2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]acetic acid?
The canonical SMILES for 2-cyclopropyl-2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]acetic acid is CC1(C)C(O)CC1NC(C(=O)O)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]acetic acid?
The InChIKey is KYMBWQWROIQFPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-11(2)7(5-8(11)13)12-9(10(14)15)6-3-4-6/h6-9,12-13H,3-5H2,1-2H3,(H,14,15).
What are the key properties of 2-cyclopropyl-2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]acetic acid?
2-cyclopropyl-2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]acetic acid has a molecular weight of 213.28 g/mol, XLogP of 0.60, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]acetic acid is sourced from PubChem (CID 103267221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).