2-(cyclopropylmethylamino)-2-thiophen-3-ylacetic acid

C10H13NO2S — CID 61002802

IUPAC2-(cyclopropylmethylamino)-2-thiophen-3-ylacetic acid
SMILESO=C(O)C(NCC1CC1)c1ccsc1
InChIInChI=1S/C10H13NO2S/c12-10(13)9(8-3-4-14-6-8)11-5-7-1-2-7/h3-4,6-7,9,11H,1-2,5H2,(H,12,13)
InChIKeyFMRDKXRYGHTSFM-UHFFFAOYSA-N
MW211.29 g/mol
LogP1.87
Rot. Bonds5

About 2-(cyclopropylmethylamino)-2-thiophen-3-ylacetic acid

2-(cyclopropylmethylamino)-2-thiophen-3-ylacetic acid (PubChem CID 61002802) has the molecular formula C10H13NO2S and a molecular weight of 211.29 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-2-thiophen-3-ylacetic acid.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-2-thiophen-3-ylacetic acid
PubChem CID61002802
Molecular FormulaC10H13NO2S
Molecular Weight211.29 g/mol
Exact Mass211.07
IUPAC Name2-(cyclopropylmethylamino)-2-thiophen-3-ylacetic acid
SMILESO=C(O)C(NCC1CC1)c1ccsc1
InChIInChI=1S/C10H13NO2S/c12-10(13)9(8-3-4-14-6-8)11-5-7-1-2-7/h3-4,6-7,9,11H,1-2,5H2,(H,12,13)
InChIKeyFMRDKXRYGHTSFM-UHFFFAOYSA-N
XLogP1.87
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopropylmethylamino)-2-(4-fluorophenyl)acetic acid
CID 61002227
2-(cyclopropylmethylamino)-2-thiophen-3-ylethanol
CID 61054631
2-(butylamino)-2-thiophen-3-ylacetic acid
CID 84748440
2-(4-tert-butylphenyl)-2-(cyclopropylmethylamino)acetic acid
CID 54894831
2-(cyclopropylmethylamino)-2-(3,4-dichlorophenyl)acetic acid
CID 54894927
(2S)-2-phenyl-2-[(4-propan-2-ylcyclohexyl)methylamino]acetic acid
CID 122038525
2-[2-(4-hydroxyphenyl)ethylamino]-2-thiophen-3-ylacetic acid
CID 84748436
2-(methoxycarbonylamino)-2-thiophen-3-ylacetic acid
CID 59610805
2-(cyclopropylmethylamino)-2-(3,5-ditert-butyl-4-hydroxyphenyl)acetic acid
CID 19363178
2-(cyclopropylmethylamino)-2-(6-methoxynaphthalen-2-yl)acetic acid
CID 61001340
N-(cyclopropylmethyl)-2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]acetamide
CID 106435169
methyl 2-(cyclopropylamino)-2-thiophen-3-ylacetate
CID 60795530

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-2-thiophen-3-ylacetic acid?
The IUPAC name of 2-(cyclopropylmethylamino)-2-thiophen-3-ylacetic acid (CID 61002802) is 2-(cyclopropylmethylamino)-2-thiophen-3-ylacetic acid.
What is the SMILES notation for 2-(cyclopropylmethylamino)-2-thiophen-3-ylacetic acid?
The canonical SMILES for 2-(cyclopropylmethylamino)-2-thiophen-3-ylacetic acid is O=C(O)C(NCC1CC1)c1ccsc1.
What is the InChIKey of 2-(cyclopropylmethylamino)-2-thiophen-3-ylacetic acid?
The InChIKey is FMRDKXRYGHTSFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2S/c12-10(13)9(8-3-4-14-6-8)11-5-7-1-2-7/h3-4,6-7,9,11H,1-2,5H2,(H,12,13).
What are the key properties of 2-(cyclopropylmethylamino)-2-thiophen-3-ylacetic acid?
2-(cyclopropylmethylamino)-2-thiophen-3-ylacetic acid has a molecular weight of 211.29 g/mol, XLogP of 1.87, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylamino)-2-thiophen-3-ylacetic acid is sourced from PubChem (CID 61002802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).