methyl (2R)-1-[(2S)-2-(thiophene-2-carbonylamino)propanoyl]pyrrolidine-2-carboxylate

C14H18N2O4S — CID 93039678

IUPACmethyl (2R)-1-[(2S)-2-(thiophene-2-carbonylamino)propanoyl]pyrrolidine-2-carboxylate
SMILESCOC(=O)[C@H]1CCCN1C(=O)[C@H](C)NC(=O)c1cccs1
InChIInChI=1S/C14H18N2O4S/c1-9(15-12(17)11-6-4-8-21-11)13(18)16-7-3-5-10(16)14(19)20-2/h4,6,8-10H,3,5,7H2,1-2H3,(H,15,17)/t9-,10+/m0/s1
InChIKeyIKOUHNPTDRFUOE-VHSXEESVSA-N
MW310.38 g/mol
LogP1.03
Rot. Bonds4

About methyl (2R)-1-[(2S)-2-(thiophene-2-carbonylamino)propanoyl]pyrrolidine-2-carboxylate

methyl (2R)-1-[(2S)-2-(thiophene-2-carbonylamino)propanoyl]pyrrolidine-2-carboxylate (PubChem CID 93039678) has the molecular formula C14H18N2O4S and a molecular weight of 310.38 g/mol. Its IUPAC name is methyl (2R)-1-[(2S)-2-(thiophene-2-carbonylamino)propanoyl]pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2R)-1-[(2S)-2-(thiophene-2-carbonylamino)propanoyl]pyrrolidine-2-carboxylate
PubChem CID93039678
Molecular FormulaC14H18N2O4S
Molecular Weight310.38 g/mol
Exact Mass310.10
IUPAC Namemethyl (2R)-1-[(2S)-2-(thiophene-2-carbonylamino)propanoyl]pyrrolidine-2-carboxylate
SMILESCOC(=O)[C@H]1CCCN1C(=O)[C@H](C)NC(=O)c1cccs1
InChIInChI=1S/C14H18N2O4S/c1-9(15-12(17)11-6-4-8-21-11)13(18)16-7-3-5-10(16)14(19)20-2/h4,6,8-10H,3,5,7H2,1-2H3,(H,15,17)/t9-,10+/m0/s1
InChIKeyIKOUHNPTDRFUOE-VHSXEESVSA-N
XLogP1.03
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-1-[2-(thiophene-2-carbonylamino)propanoyl]piperidine-2-carboxylic acid
CID 79035200
N-[1-(2-ethylpiperidin-1-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 47143464
methyl 1-(2-amino-2-thiophen-2-ylacetyl)piperidine-2-carboxylate
CID 115286566
methyl (2R)-1-[(2S)-2-(phenylmethoxycarbonylamino)propanoyl]pyrrolidine-2-carboxylate
CID 175816508
2-methyl-1-[2-(thiophene-2-carbonylamino)propanoyl]pyrrolidine-3-carboxylic acid
CID 79372062
N-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]thiophene-2-carboxamide
CID 1263443
tert-butyl (2S)-1-[(2S)-2-[(1-methoxy-1,5-dioxo-5-thiophen-2-ylpentan-2-yl)amino]propanoyl]pyrrolidine-2-carboxylate
CID 70484536
N-[1-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 71943345
methyl (2S)-1-[(2S)-2-[(5-bromothiophene-2-carbonyl)amino]-3-methylbutanoyl]pyrrolidine-2-carboxylate
CID 155418076
methyl (2S)-1-[(2S)-2-[[(2R)-2-acetylsulfanyl-3-phenylpropanoyl]amino]propanoyl]pyrrolidine-2-carboxylate
CID 10501507
N-[(2S)-1-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 38609029
(4R)-3-[2-(thiophene-2-carbonylamino)propanoyl]-1,3-thiazolidine-4-carboxylic acid
CID 61143308

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-1-[(2S)-2-(thiophene-2-carbonylamino)propanoyl]pyrrolidine-2-carboxylate?
The IUPAC name of methyl (2R)-1-[(2S)-2-(thiophene-2-carbonylamino)propanoyl]pyrrolidine-2-carboxylate (CID 93039678) is methyl (2R)-1-[(2S)-2-(thiophene-2-carbonylamino)propanoyl]pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl (2R)-1-[(2S)-2-(thiophene-2-carbonylamino)propanoyl]pyrrolidine-2-carboxylate?
The canonical SMILES for methyl (2R)-1-[(2S)-2-(thiophene-2-carbonylamino)propanoyl]pyrrolidine-2-carboxylate is COC(=O)[C@H]1CCCN1C(=O)[C@H](C)NC(=O)c1cccs1.
What is the InChIKey of methyl (2R)-1-[(2S)-2-(thiophene-2-carbonylamino)propanoyl]pyrrolidine-2-carboxylate?
The InChIKey is IKOUHNPTDRFUOE-VHSXEESVSA-N. The full InChI is InChI=1S/C14H18N2O4S/c1-9(15-12(17)11-6-4-8-21-11)13(18)16-7-3-5-10(16)14(19)20-2/h4,6,8-10H,3,5,7H2,1-2H3,(H,15,17)/t9-,10+/m0/s1.
What are the key properties of methyl (2R)-1-[(2S)-2-(thiophene-2-carbonylamino)propanoyl]pyrrolidine-2-carboxylate?
methyl (2R)-1-[(2S)-2-(thiophene-2-carbonylamino)propanoyl]pyrrolidine-2-carboxylate has a molecular weight of 310.38 g/mol, XLogP of 1.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-1-[(2S)-2-(thiophene-2-carbonylamino)propanoyl]pyrrolidine-2-carboxylate is sourced from PubChem (CID 93039678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).