2-[3-[(1R)-1,2-diaminoethyl]-2-hydroxyphenyl]acetic acid

C10H14N2O3 — CID 66516952

IUPAC2-[3-[(1R)-1,2-diaminoethyl]-2-hydroxyphenyl]acetic acid
SMILESNC[C@H](N)c1cccc(CC(=O)O)c1O
InChIInChI=1S/C10H14N2O3/c11-5-8(12)7-3-1-2-6(10(7)15)4-9(13)14/h1-3,8,15H,4-5,11-12H2,(H,13,14)/t8-/m0/s1
InChIKeyFBMPNOLMVVROCN-QMMMGPOBSA-N
MW210.23 g/mol
LogP-0.02
Rot. Bonds4

About 2-[3-[(1R)-1,2-diaminoethyl]-2-hydroxyphenyl]acetic acid

2-[3-[(1R)-1,2-diaminoethyl]-2-hydroxyphenyl]acetic acid (PubChem CID 66516952) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 2-[3-[(1R)-1,2-diaminoethyl]-2-hydroxyphenyl]acetic acid.

Molecular Properties

Compound Name2-[3-[(1R)-1,2-diaminoethyl]-2-hydroxyphenyl]acetic acid
PubChem CID66516952
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name2-[3-[(1R)-1,2-diaminoethyl]-2-hydroxyphenyl]acetic acid
SMILESNC[C@H](N)c1cccc(CC(=O)O)c1O
InChIInChI=1S/C10H14N2O3/c11-5-8(12)7-3-1-2-6(10(7)15)4-9(13)14/h1-3,8,15H,4-5,11-12H2,(H,13,14)/t8-/m0/s1
InChIKeyFBMPNOLMVVROCN-QMMMGPOBSA-N
XLogP-0.02
TPSA109.57 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 5-0.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[3-[(1S)-1-amino-2-hydroxyethyl]-2-hydroxyphenyl]acetic acid
CID 66514499
2-[(1R)-1,2-diaminoethyl]-6-ethylphenol
CID 66516119
2-[2-[(1R)-1,2-diaminoethyl]phenyl]acetic acid
CID 66516484
2-[(1S)-1,2-diaminoethyl]-6-propan-2-ylphenol
CID 55262533
2-[(1R)-1,3-diaminopropyl]-6-ethylphenol
CID 171257230
2-[(1S)-1,2-diaminoethyl]-6-phenylphenol
CID 66518164
2-[(1S)-1,2-diaminoethyl]-6-methylphenol;hydrochloride
CID 171212487
2-[(1S)-1-amino-2-hydroxyethyl]-6-ethylphenol
CID 55262993
2-[(1R)-1,2-diaminoethyl]benzoic acid
CID 66516096
3-(1,2-diaminoethyl)phthalic acid
CID 175050908
2-[(1S)-1,2-diaminoethyl]-6-(trifluoromethyl)phenol
CID 66517650
3-amino-3-(2-hydroxy-3-iodophenyl)propanoic acid
CID 130141983

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(1R)-1,2-diaminoethyl]-2-hydroxyphenyl]acetic acid?
The IUPAC name of 2-[3-[(1R)-1,2-diaminoethyl]-2-hydroxyphenyl]acetic acid (CID 66516952) is 2-[3-[(1R)-1,2-diaminoethyl]-2-hydroxyphenyl]acetic acid.
What is the SMILES notation for 2-[3-[(1R)-1,2-diaminoethyl]-2-hydroxyphenyl]acetic acid?
The canonical SMILES for 2-[3-[(1R)-1,2-diaminoethyl]-2-hydroxyphenyl]acetic acid is NC[C@H](N)c1cccc(CC(=O)O)c1O.
What is the InChIKey of 2-[3-[(1R)-1,2-diaminoethyl]-2-hydroxyphenyl]acetic acid?
The InChIKey is FBMPNOLMVVROCN-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H14N2O3/c11-5-8(12)7-3-1-2-6(10(7)15)4-9(13)14/h1-3,8,15H,4-5,11-12H2,(H,13,14)/t8-/m0/s1.
What are the key properties of 2-[3-[(1R)-1,2-diaminoethyl]-2-hydroxyphenyl]acetic acid?
2-[3-[(1R)-1,2-diaminoethyl]-2-hydroxyphenyl]acetic acid has a molecular weight of 210.23 g/mol, XLogP of -0.02, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(1R)-1,2-diaminoethyl]-2-hydroxyphenyl]acetic acid is sourced from PubChem (CID 66516952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).