(5R)-5-amino-5-thiophen-3-ylpentanoic acid

C9H13NO2S — CID 55264344

IUPAC(5R)-5-amino-5-thiophen-3-ylpentanoic acid
SMILESN[C@H](CCCC(=O)O)c1ccsc1
InChIInChI=1S/C9H13NO2S/c10-8(2-1-3-9(11)12)7-4-5-13-6-7/h4-6,8H,1-3,10H2,(H,11,12)/t8-/m1/s1
InChIKeyMIWAHSKHTWVFSZ-MRVPVSSYSA-N
MW199.28 g/mol
LogP2.00
Rot. Bonds5

About (5R)-5-amino-5-thiophen-3-ylpentanoic acid

(5R)-5-amino-5-thiophen-3-ylpentanoic acid (PubChem CID 55264344) has the molecular formula C9H13NO2S and a molecular weight of 199.28 g/mol. Its IUPAC name is (5R)-5-amino-5-thiophen-3-ylpentanoic acid.

Molecular Properties

Compound Name(5R)-5-amino-5-thiophen-3-ylpentanoic acid
PubChem CID55264344
Molecular FormulaC9H13NO2S
Molecular Weight199.28 g/mol
Exact Mass199.07
IUPAC Name(5R)-5-amino-5-thiophen-3-ylpentanoic acid
SMILESN[C@H](CCCC(=O)O)c1ccsc1
InChIInChI=1S/C9H13NO2S/c10-8(2-1-3-9(11)12)7-4-5-13-6-7/h4-6,8H,1-3,10H2,(H,11,12)/t8-/m1/s1
InChIKeyMIWAHSKHTWVFSZ-MRVPVSSYSA-N
XLogP2.00
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.28
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-amino-3-thiophen-3-ylpropan-1-ol
CID 1487793
1-thiophen-3-ylhexan-1-amine;hydrochloride
CID 86262846
5-amino-5-(4-propan-2-ylphenyl)pentanoic acid
CID 54908179
(5R)-5-amino-5-(4-iodophenyl)pentanoic acid
CID 28931172
5-amino-5-(1-methyl-2-oxo-3H-indol-5-yl)pentanoic acid
CID 43119634
4,4,4-trifluoro-1-thiophen-3-ylbutan-1-amine
CID 64567617
(5S)-5-amino-5-[4-(2-methylpropyl)phenyl]pentanoic acid
CID 28931162
6-[benzyl(hydroxy)phosphoryl]-5-thiophen-3-ylhexanoic acid
CID 57078465
5-amino-5-(3-bromo-4-fluorophenyl)pentanoic acid
CID 79736889
(5S)-5-amino-5-(5,6,7,8-tetrahydronaphthalen-2-yl)pentanoic acid
CID 28931166
ethyl (3S)-3-amino-3-thiophen-3-ylpropanoate
CID 29059787
5-amino-5-(1,3-benzodioxol-5-yl)pentanoic acid
CID 82367144

Frequently Asked Questions

What is the IUPAC name of (5R)-5-amino-5-thiophen-3-ylpentanoic acid?
The IUPAC name of (5R)-5-amino-5-thiophen-3-ylpentanoic acid (CID 55264344) is (5R)-5-amino-5-thiophen-3-ylpentanoic acid.
What is the SMILES notation for (5R)-5-amino-5-thiophen-3-ylpentanoic acid?
The canonical SMILES for (5R)-5-amino-5-thiophen-3-ylpentanoic acid is N[C@H](CCCC(=O)O)c1ccsc1.
What is the InChIKey of (5R)-5-amino-5-thiophen-3-ylpentanoic acid?
The InChIKey is MIWAHSKHTWVFSZ-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H13NO2S/c10-8(2-1-3-9(11)12)7-4-5-13-6-7/h4-6,8H,1-3,10H2,(H,11,12)/t8-/m1/s1.
What are the key properties of (5R)-5-amino-5-thiophen-3-ylpentanoic acid?
(5R)-5-amino-5-thiophen-3-ylpentanoic acid has a molecular weight of 199.28 g/mol, XLogP of 2.00, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-amino-5-thiophen-3-ylpentanoic acid is sourced from PubChem (CID 55264344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).