4-[(4R)-4-amino-4-carboxybutyl]thiophene-3-carboxylic acid

C10H13NO4S — CID 77461163

IUPAC4-[(4R)-4-amino-4-carboxybutyl]thiophene-3-carboxylic acid
SMILESN[C@H](CCCc1cscc1C(=O)O)C(=O)O
InChIInChI=1S/C10H13NO4S/c11-8(10(14)15)3-1-2-6-4-16-5-7(6)9(12)13/h4-5,8H,1-3,11H2,(H,12,13)(H,14,15)/t8-/m1/s1
InChIKeySYTYECVGVGQBED-MRVPVSSYSA-N
MW243.28 g/mol
LogP1.18
Rot. Bonds6

About 4-[(4R)-4-amino-4-carboxybutyl]thiophene-3-carboxylic acid

4-[(4R)-4-amino-4-carboxybutyl]thiophene-3-carboxylic acid (PubChem CID 77461163) has the molecular formula C10H13NO4S and a molecular weight of 243.28 g/mol. Its IUPAC name is 4-[(4R)-4-amino-4-carboxybutyl]thiophene-3-carboxylic acid.

Molecular Properties

Compound Name4-[(4R)-4-amino-4-carboxybutyl]thiophene-3-carboxylic acid
PubChem CID77461163
Molecular FormulaC10H13NO4S
Molecular Weight243.28 g/mol
Exact Mass243.06
IUPAC Name4-[(4R)-4-amino-4-carboxybutyl]thiophene-3-carboxylic acid
SMILESN[C@H](CCCc1cscc1C(=O)O)C(=O)O
InChIInChI=1S/C10H13NO4S/c11-8(10(14)15)3-1-2-6-4-16-5-7(6)9(12)13/h4-5,8H,1-3,11H2,(H,12,13)(H,14,15)/t8-/m1/s1
InChIKeySYTYECVGVGQBED-MRVPVSSYSA-N
XLogP1.18
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.28
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-hydroxyethyl)thiophene-3-carboxylic acid
CID 119086084
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CID 83664407
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CID 865
(2S,7S)-2,7-diaminooctanedioic acid
CID 7033159
(2R,8R)-2,8-diaminononanedioic acid
CID 6994849
2-amino-5-(2-amino-1H-imidazol-5-yl)pentanoic acid
CID 46237591
2-amino-5-(4-bromophenyl)pentanoic acid
CID 83664406
2-amino-5-(4-fluorophenyl)pentanoic acid
CID 83639572
2-amino-4-thiophen-3-ylbutanoic acid
CID 18951372
2-amino-5-(5-ethyl-2-methoxyphenyl)pentanoic acid
CID 115005494
(2S)-2,7-diamino-7-oxoheptanoic acid
CID 88911267
(2S)-2,6-diaminohexanoic acid;gold
CID 174858889

Frequently Asked Questions

What is the IUPAC name of 4-[(4R)-4-amino-4-carboxybutyl]thiophene-3-carboxylic acid?
The IUPAC name of 4-[(4R)-4-amino-4-carboxybutyl]thiophene-3-carboxylic acid (CID 77461163) is 4-[(4R)-4-amino-4-carboxybutyl]thiophene-3-carboxylic acid.
What is the SMILES notation for 4-[(4R)-4-amino-4-carboxybutyl]thiophene-3-carboxylic acid?
The canonical SMILES for 4-[(4R)-4-amino-4-carboxybutyl]thiophene-3-carboxylic acid is N[C@H](CCCc1cscc1C(=O)O)C(=O)O.
What is the InChIKey of 4-[(4R)-4-amino-4-carboxybutyl]thiophene-3-carboxylic acid?
The InChIKey is SYTYECVGVGQBED-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H13NO4S/c11-8(10(14)15)3-1-2-6-4-16-5-7(6)9(12)13/h4-5,8H,1-3,11H2,(H,12,13)(H,14,15)/t8-/m1/s1.
What are the key properties of 4-[(4R)-4-amino-4-carboxybutyl]thiophene-3-carboxylic acid?
4-[(4R)-4-amino-4-carboxybutyl]thiophene-3-carboxylic acid has a molecular weight of 243.28 g/mol, XLogP of 1.18, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4R)-4-amino-4-carboxybutyl]thiophene-3-carboxylic acid is sourced from PubChem (CID 77461163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).