(5R)-5-amino-5-[3-methoxy-4-(2-methylpropoxy)phenyl]pentanoic acid

C16H25NO4 — CID 165351774

IUPAC(5R)-5-amino-5-[3-methoxy-4-(2-methylpropoxy)phenyl]pentanoic acid
SMILESCOc1cc([C@H](N)CCCC(=O)O)ccc1OCC(C)C
InChIInChI=1S/C16H25NO4/c1-11(2)10-21-14-8-7-12(9-15(14)20-3)13(17)5-4-6-16(18)19/h7-9,11,13H,4-6,10,17H2,1-3H3,(H,18,19)/t13-/m1/s1
InChIKeyHGDABIGMDAIIRD-CYBMUJFWSA-N
MW295.38 g/mol
LogP2.98
Rot. Bonds9

About (5R)-5-amino-5-[3-methoxy-4-(2-methylpropoxy)phenyl]pentanoic acid

(5R)-5-amino-5-[3-methoxy-4-(2-methylpropoxy)phenyl]pentanoic acid (PubChem CID 165351774) has the molecular formula C16H25NO4 and a molecular weight of 295.38 g/mol. Its IUPAC name is (5R)-5-amino-5-[3-methoxy-4-(2-methylpropoxy)phenyl]pentanoic acid.

Molecular Properties

Compound Name(5R)-5-amino-5-[3-methoxy-4-(2-methylpropoxy)phenyl]pentanoic acid
PubChem CID165351774
Molecular FormulaC16H25NO4
Molecular Weight295.38 g/mol
Exact Mass295.18
IUPAC Name(5R)-5-amino-5-[3-methoxy-4-(2-methylpropoxy)phenyl]pentanoic acid
SMILESCOc1cc([C@H](N)CCCC(=O)O)ccc1OCC(C)C
InChIInChI=1S/C16H25NO4/c1-11(2)10-21-14-8-7-12(9-15(14)20-3)13(17)5-4-6-16(18)19/h7-9,11,13H,4-6,10,17H2,1-3H3,(H,18,19)/t13-/m1/s1
InChIKeyHGDABIGMDAIIRD-CYBMUJFWSA-N
XLogP2.98
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-3-[3-methoxy-4-(2-methylpropoxy)phenyl]propanoic acid
CID 25219626
(5R)-5-amino-5-(3,4-diethoxyphenyl)pentanoic acid
CID 28931104
1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethanamine
CID 16788840
4-amino-4-(3,4-dimethoxyphenyl)butanamide
CID 60862827
1-(3,4-dimethoxyphenyl)-5-methylhexan-1-amine
CID 83162187
4-amino-4-(4-hydroxy-3-methoxyphenyl)butanoic acid
CID 165346911
(3R)-3-amino-3-(3,4-dimethoxyphenyl)propanoic acid
CID 670404
5-amino-5-(3-chloro-4-methoxyphenyl)pentanamide
CID 54927664
5-amino-5-(4-propan-2-ylphenyl)pentanoic acid
CID 54908179
3-amino-N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]propanamide
CID 119294135
1-[3-methoxy-4-(2-methylpropoxy)phenyl]propan-1-ol
CID 83952575
(2S)-2-amino-N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]-3,3-dimethylbutanamide
CID 119732110

Frequently Asked Questions

What is the IUPAC name of (5R)-5-amino-5-[3-methoxy-4-(2-methylpropoxy)phenyl]pentanoic acid?
The IUPAC name of (5R)-5-amino-5-[3-methoxy-4-(2-methylpropoxy)phenyl]pentanoic acid (CID 165351774) is (5R)-5-amino-5-[3-methoxy-4-(2-methylpropoxy)phenyl]pentanoic acid.
What is the SMILES notation for (5R)-5-amino-5-[3-methoxy-4-(2-methylpropoxy)phenyl]pentanoic acid?
The canonical SMILES for (5R)-5-amino-5-[3-methoxy-4-(2-methylpropoxy)phenyl]pentanoic acid is COc1cc([C@H](N)CCCC(=O)O)ccc1OCC(C)C.
What is the InChIKey of (5R)-5-amino-5-[3-methoxy-4-(2-methylpropoxy)phenyl]pentanoic acid?
The InChIKey is HGDABIGMDAIIRD-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H25NO4/c1-11(2)10-21-14-8-7-12(9-15(14)20-3)13(17)5-4-6-16(18)19/h7-9,11,13H,4-6,10,17H2,1-3H3,(H,18,19)/t13-/m1/s1.
What are the key properties of (5R)-5-amino-5-[3-methoxy-4-(2-methylpropoxy)phenyl]pentanoic acid?
(5R)-5-amino-5-[3-methoxy-4-(2-methylpropoxy)phenyl]pentanoic acid has a molecular weight of 295.38 g/mol, XLogP of 2.98, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-amino-5-[3-methoxy-4-(2-methylpropoxy)phenyl]pentanoic acid is sourced from PubChem (CID 165351774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).