(3R)-3-amino-3-[4-(methylamino)phenyl]propanoic acid

C10H14N2O2 — CID 130649436

IUPAC(3R)-3-amino-3-[4-(methylamino)phenyl]propanoic acid
SMILESCNc1ccc([C@H](N)CC(=O)O)cc1
InChIInChI=1S/C10H14N2O2/c1-12-8-4-2-7(3-5-8)9(11)6-10(13)14/h2-5,9,12H,6,11H2,1H3,(H,13,14)/t9-/m1/s1
InChIKeyIDWXLLSNOPVXTF-SECBINFHSA-N
MW194.23 g/mol
LogP1.20
Rot. Bonds4

About (3R)-3-amino-3-[4-(methylamino)phenyl]propanoic acid

(3R)-3-amino-3-[4-(methylamino)phenyl]propanoic acid (PubChem CID 130649436) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is (3R)-3-amino-3-[4-(methylamino)phenyl]propanoic acid.

Molecular Properties

Compound Name(3R)-3-amino-3-[4-(methylamino)phenyl]propanoic acid
PubChem CID130649436
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name(3R)-3-amino-3-[4-(methylamino)phenyl]propanoic acid
SMILESCNc1ccc([C@H](N)CC(=O)O)cc1
InChIInChI=1S/C10H14N2O2/c1-12-8-4-2-7(3-5-8)9(11)6-10(13)14/h2-5,9,12H,6,11H2,1H3,(H,13,14)/t9-/m1/s1
InChIKeyIDWXLLSNOPVXTF-SECBINFHSA-N
XLogP1.20
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dihydroxy-4-[4-(methylamino)phenyl]butanoic acid
CID 171877416
(3S)-3-amino-3-[4-(difluoromethyl)phenyl]propanoic acid
CID 79016031
3-amino-3-phenylpropanoic acid;methanesulfonic acid
CID 87900838
(3R)-3-amino-3-phenylpropanoic acid;methanesulfonic acid
CID 87900954
3-amino-3-(4-chlorophenyl)propanoic acid;azane
CID 175752194
3-amino-3-(4-carbamoylphenyl)propanoic acid
CID 84675902
(3R)-3-amino-3-(4-propylphenyl)propanoic acid
CID 95997919
(3S)-3-amino-3-(4-methoxyphenyl)propanoic acid;hydrochloride
CID 24832880
(3R)-3-amino-3-[4-(2-methylpropyl)phenyl]propanoic acid
CID 940967
(3R)-3-amino-3-(4-ethynylphenyl)propanoic acid
CID 130649831
3-amino-3-[4-(4-methoxyphenyl)phenyl]propanoic acid
CID 82366864
3-amino-3-(3-amino-4-bromophenyl)propanoic acid
CID 117115837

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-3-[4-(methylamino)phenyl]propanoic acid?
The IUPAC name of (3R)-3-amino-3-[4-(methylamino)phenyl]propanoic acid (CID 130649436) is (3R)-3-amino-3-[4-(methylamino)phenyl]propanoic acid.
What is the SMILES notation for (3R)-3-amino-3-[4-(methylamino)phenyl]propanoic acid?
The canonical SMILES for (3R)-3-amino-3-[4-(methylamino)phenyl]propanoic acid is CNc1ccc([C@H](N)CC(=O)O)cc1.
What is the InChIKey of (3R)-3-amino-3-[4-(methylamino)phenyl]propanoic acid?
The InChIKey is IDWXLLSNOPVXTF-SECBINFHSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-12-8-4-2-7(3-5-8)9(11)6-10(13)14/h2-5,9,12H,6,11H2,1H3,(H,13,14)/t9-/m1/s1.
What are the key properties of (3R)-3-amino-3-[4-(methylamino)phenyl]propanoic acid?
(3R)-3-amino-3-[4-(methylamino)phenyl]propanoic acid has a molecular weight of 194.23 g/mol, XLogP of 1.20, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-3-[4-(methylamino)phenyl]propanoic acid is sourced from PubChem (CID 130649436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).