2-[(4-hydroxyphenyl)methylamino]acetic acid;2-methylpropane

C13H21NO3 — CID 163373715

IUPAC2-[(4-hydroxyphenyl)methylamino]acetic acid;2-methylpropane
SMILESCC(C)C.O=C(O)CNCc1ccc(O)cc1
InChIInChI=1S/C9H11NO3.C4H10/c11-8-3-1-7(2-4-8)5-10-6-9(12)13;1-4(2)3/h1-4,10-11H,5-6H2,(H,12,13);4H,1-3H3
InChIKeyUUCURQYHFPIOSZ-UHFFFAOYSA-N
MW239.31 g/mol
LogP2.23
Rot. Bonds4

About 2-[(4-hydroxyphenyl)methylamino]acetic acid;2-methylpropane

2-[(4-hydroxyphenyl)methylamino]acetic acid;2-methylpropane (PubChem CID 163373715) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is 2-[(4-hydroxyphenyl)methylamino]acetic acid;2-methylpropane.

Molecular Properties

Compound Name2-[(4-hydroxyphenyl)methylamino]acetic acid;2-methylpropane
PubChem CID163373715
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name2-[(4-hydroxyphenyl)methylamino]acetic acid;2-methylpropane
SMILESCC(C)C.O=C(O)CNCc1ccc(O)cc1
InChIInChI=1S/C9H11NO3.C4H10/c11-8-3-1-7(2-4-8)5-10-6-9(12)13;1-4(2)3/h1-4,10-11H,5-6H2,(H,12,13);4H,1-3H3
InChIKeyUUCURQYHFPIOSZ-UHFFFAOYSA-N
XLogP2.23
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[[(4-hydroxyphenyl)methylamino]methyl]phenyl]acetic acid
CID 103268485
2-[(4-hydroxyphenyl)methylamino]acetamide
CID 16775960
2-[(4-butylphenyl)methylamino]acetic acid
CID 16658344
2-[(3,4-dihydroxyphenyl)methylamino]acetic acid
CID 43135200
4-[[[4-(2-methylpropyl)phenyl]methylamino]methyl]phenol
CID 115688990
2-[(4-hydroxyphenyl)methylamino]-N-phenylacetamide
CID 115584767
2-hydroxy-3-[(4-hydroxyphenyl)methylamino]-2-methylpropanoic acid
CID 114331776
3-[[4-[(2-carboxyethylamino)methyl]phenyl]methylamino]propanoic acid
CID 68738006
2-[(3-fluoro-4-propan-2-yloxyphenyl)methylamino]acetic acid
CID 98784176
2-[4-[[[2-(2-methylpropylamino)-2-oxoethyl]amino]methyl]phenyl]acetic acid
CID 103263785
4-[[(4-propan-2-yloxyphenyl)methylamino]methyl]phenol
CID 115581451
4-[4-(4-hydroxyphenyl)butan-2-ylamino]butanoic acid
CID 54920474

Frequently Asked Questions

What is the IUPAC name of 2-[(4-hydroxyphenyl)methylamino]acetic acid;2-methylpropane?
The IUPAC name of 2-[(4-hydroxyphenyl)methylamino]acetic acid;2-methylpropane (CID 163373715) is 2-[(4-hydroxyphenyl)methylamino]acetic acid;2-methylpropane.
What is the SMILES notation for 2-[(4-hydroxyphenyl)methylamino]acetic acid;2-methylpropane?
The canonical SMILES for 2-[(4-hydroxyphenyl)methylamino]acetic acid;2-methylpropane is CC(C)C.O=C(O)CNCc1ccc(O)cc1.
What is the InChIKey of 2-[(4-hydroxyphenyl)methylamino]acetic acid;2-methylpropane?
The InChIKey is UUCURQYHFPIOSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3.C4H10/c11-8-3-1-7(2-4-8)5-10-6-9(12)13;1-4(2)3/h1-4,10-11H,5-6H2,(H,12,13);4H,1-3H3.
What are the key properties of 2-[(4-hydroxyphenyl)methylamino]acetic acid;2-methylpropane?
2-[(4-hydroxyphenyl)methylamino]acetic acid;2-methylpropane has a molecular weight of 239.31 g/mol, XLogP of 2.23, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-hydroxyphenyl)methylamino]acetic acid;2-methylpropane is sourced from PubChem (CID 163373715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).