(3S)-1-[(2S)-2-thiophen-2-ylpropanoyl]piperidine-3-carboxylic acid

C13H17NO3S — CID 124576625

IUPAC(3S)-1-[(2S)-2-thiophen-2-ylpropanoyl]piperidine-3-carboxylic acid
SMILESC[C@@H](C(=O)N1CCC[C@H](C(=O)O)C1)c1cccs1
InChIInChI=1S/C13H17NO3S/c1-9(11-5-3-7-18-11)12(15)14-6-2-4-10(8-14)13(16)17/h3,5,7,9-10H,2,4,6,8H2,1H3,(H,16,17)/t9-,10+/m1/s1
InChIKeyMQTLSQIVDZRGHZ-ZJUUUORDSA-N
MW267.35 g/mol
LogP2.17
Rot. Bonds3

About (3S)-1-[(2S)-2-thiophen-2-ylpropanoyl]piperidine-3-carboxylic acid

(3S)-1-[(2S)-2-thiophen-2-ylpropanoyl]piperidine-3-carboxylic acid (PubChem CID 124576625) has the molecular formula C13H17NO3S and a molecular weight of 267.35 g/mol. Its IUPAC name is (3S)-1-[(2S)-2-thiophen-2-ylpropanoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-1-[(2S)-2-thiophen-2-ylpropanoyl]piperidine-3-carboxylic acid
PubChem CID124576625
Molecular FormulaC13H17NO3S
Molecular Weight267.35 g/mol
Exact Mass267.09
IUPAC Name(3S)-1-[(2S)-2-thiophen-2-ylpropanoyl]piperidine-3-carboxylic acid
SMILESC[C@@H](C(=O)N1CCC[C@H](C(=O)O)C1)c1cccs1
InChIInChI=1S/C13H17NO3S/c1-9(11-5-3-7-18-11)12(15)14-6-2-4-10(8-14)13(16)17/h3,5,7,9-10H,2,4,6,8H2,1H3,(H,16,17)/t9-,10+/m1/s1
InChIKeyMQTLSQIVDZRGHZ-ZJUUUORDSA-N
XLogP2.17
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-[(2R)-2-thiophen-2-ylpropanoyl]piperidine-3-carboxamide
CID 172908504
1-(2-amino-2-thiophen-2-ylacetyl)piperidine-3-carboxylic acid
CID 115286846
(3R)-1-[(2S)-2-methyl-3-thiophen-2-ylpropanoyl]piperidine-3-carboxylic acid
CID 124576808
(3R)-1-[(2R)-2-(5-bromothiophen-2-yl)propanoyl]piperidine-3-carboxylic acid
CID 129382499
3-[(3R)-1-[(2R)-2-thiophen-2-ylpropanoyl]piperidin-3-yl]propanoic acid
CID 124689811
(3R)-1-[(2S)-2-thiophen-2-ylpropanoyl]piperidine-3-sulfonamide
CID 97218661
1-[propan-2-yl(thiophen-2-ylmethyl)carbamoyl]piperidine-3-carboxylic acid
CID 61455664
(3R)-1-(thiophene-2-carbonyl)piperidine-3-carboxylic acid
CID 858666
(3S)-1-[2-(4-bromophenyl)propanoyl]piperidine-3-carboxylic acid
CID 120514149
1-(3-morpholin-4-ylsulfonylpiperidin-1-yl)-2-thiophen-2-ylpropan-1-one
CID 127778958
(2R)-1-[(3R)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-thiophen-2-ylpropan-1-one
CID 95773697
(3S)-1-[(2R)-2-(3-fluorophenyl)propanoyl]piperidine-3-carboxylic acid
CID 124576767

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(2S)-2-thiophen-2-ylpropanoyl]piperidine-3-carboxylic acid?
The IUPAC name of (3S)-1-[(2S)-2-thiophen-2-ylpropanoyl]piperidine-3-carboxylic acid (CID 124576625) is (3S)-1-[(2S)-2-thiophen-2-ylpropanoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for (3S)-1-[(2S)-2-thiophen-2-ylpropanoyl]piperidine-3-carboxylic acid?
The canonical SMILES for (3S)-1-[(2S)-2-thiophen-2-ylpropanoyl]piperidine-3-carboxylic acid is C[C@@H](C(=O)N1CCC[C@H](C(=O)O)C1)c1cccs1.
What is the InChIKey of (3S)-1-[(2S)-2-thiophen-2-ylpropanoyl]piperidine-3-carboxylic acid?
The InChIKey is MQTLSQIVDZRGHZ-ZJUUUORDSA-N. The full InChI is InChI=1S/C13H17NO3S/c1-9(11-5-3-7-18-11)12(15)14-6-2-4-10(8-14)13(16)17/h3,5,7,9-10H,2,4,6,8H2,1H3,(H,16,17)/t9-,10+/m1/s1.
What are the key properties of (3S)-1-[(2S)-2-thiophen-2-ylpropanoyl]piperidine-3-carboxylic acid?
(3S)-1-[(2S)-2-thiophen-2-ylpropanoyl]piperidine-3-carboxylic acid has a molecular weight of 267.35 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(2S)-2-thiophen-2-ylpropanoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 124576625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).