(2R)-2-[(5-ethylthiophene-2-carbonyl)amino]hexanedioic acid

C13H17NO5S — CID 107831637

IUPAC(2R)-2-[(5-ethylthiophene-2-carbonyl)amino]hexanedioic acid
SMILESCCc1ccc(C(=O)N[C@H](CCCC(=O)O)C(=O)O)s1
InChIInChI=1S/C13H17NO5S/c1-2-8-6-7-10(20-8)12(17)14-9(13(18)19)4-3-5-11(15)16/h6-7,9H,2-5H2,1H3,(H,14,17)(H,15,16)(H,18,19)/t9-/m1/s1
InChIKeyRWWFSPXAALFNRF-SECBINFHSA-N
MW299.35 g/mol
LogP1.75
Rot. Bonds8

About (2R)-2-[(5-ethylthiophene-2-carbonyl)amino]hexanedioic acid

(2R)-2-[(5-ethylthiophene-2-carbonyl)amino]hexanedioic acid (PubChem CID 107831637) has the molecular formula C13H17NO5S and a molecular weight of 299.35 g/mol. Its IUPAC name is (2R)-2-[(5-ethylthiophene-2-carbonyl)amino]hexanedioic acid.

Molecular Properties

Compound Name(2R)-2-[(5-ethylthiophene-2-carbonyl)amino]hexanedioic acid
PubChem CID107831637
Molecular FormulaC13H17NO5S
Molecular Weight299.35 g/mol
Exact Mass299.08
IUPAC Name(2R)-2-[(5-ethylthiophene-2-carbonyl)amino]hexanedioic acid
SMILESCCc1ccc(C(=O)N[C@H](CCCC(=O)O)C(=O)O)s1
InChIInChI=1S/C13H17NO5S/c1-2-8-6-7-10(20-8)12(17)14-9(13(18)19)4-3-5-11(15)16/h6-7,9H,2-5H2,1H3,(H,14,17)(H,15,16)(H,18,19)/t9-/m1/s1
InChIKeyRWWFSPXAALFNRF-SECBINFHSA-N
XLogP1.75
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5-ethylthiophene-2-carbonyl)amino]hexanoic acid
CID 43469771
2-[(5-ethylthiophene-2-carbonyl)amino]-5-methoxy-5-oxopentanoic acid
CID 82787407
6-[(5-ethylthiophene-2-carbonyl)amino]hexanoic acid
CID 43170039
(2S)-2-[(5-methylthiophene-2-carbonyl)amino]hexanoic acid
CID 93031784
5-[(5-ethylthiophene-2-carbonyl)amino]-4-methylpentanoic acid
CID 82009173
(2S)-2-[(5-ethylthiophen-2-yl)methylcarbamoylamino]pentanedioic acid
CID 106005543
3-[(5-ethylthiophene-2-carbonyl)amino]-3-phenylpropanoic acid
CID 43351346
N-[(2R)-1-aminopropan-2-yl]-5-ethylthiophene-2-carboxamide
CID 104873084
N-(1-aminobutan-2-yl)-5-ethylthiophene-2-carboxamide
CID 65193940
(2R)-2-[[4-(aminomethyl)benzoyl]amino]hexanedioic acid
CID 107835693
(2R)-2-[[5-(aminomethyl)furan-2-carbonyl]amino]hexanedioic acid
CID 107835515
2-[[5-[1-(2-amino-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)ethyl]thiophene-2-carbonyl]amino]hexanedioic acid
CID 139846391

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(5-ethylthiophene-2-carbonyl)amino]hexanedioic acid?
The IUPAC name of (2R)-2-[(5-ethylthiophene-2-carbonyl)amino]hexanedioic acid (CID 107831637) is (2R)-2-[(5-ethylthiophene-2-carbonyl)amino]hexanedioic acid.
What is the SMILES notation for (2R)-2-[(5-ethylthiophene-2-carbonyl)amino]hexanedioic acid?
The canonical SMILES for (2R)-2-[(5-ethylthiophene-2-carbonyl)amino]hexanedioic acid is CCc1ccc(C(=O)N[C@H](CCCC(=O)O)C(=O)O)s1.
What is the InChIKey of (2R)-2-[(5-ethylthiophene-2-carbonyl)amino]hexanedioic acid?
The InChIKey is RWWFSPXAALFNRF-SECBINFHSA-N. The full InChI is InChI=1S/C13H17NO5S/c1-2-8-6-7-10(20-8)12(17)14-9(13(18)19)4-3-5-11(15)16/h6-7,9H,2-5H2,1H3,(H,14,17)(H,15,16)(H,18,19)/t9-/m1/s1.
What are the key properties of (2R)-2-[(5-ethylthiophene-2-carbonyl)amino]hexanedioic acid?
(2R)-2-[(5-ethylthiophene-2-carbonyl)amino]hexanedioic acid has a molecular weight of 299.35 g/mol, XLogP of 1.75, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(5-ethylthiophene-2-carbonyl)amino]hexanedioic acid is sourced from PubChem (CID 107831637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).