methyl (2R)-2-amino-3-[[3-(carbamoylamino)-5-phenylthiophene-2-carbonyl]amino]propanoate

C16H18N4O4S — CID 67077797

IUPACmethyl (2R)-2-amino-3-[[3-(carbamoylamino)-5-phenylthiophene-2-carbonyl]amino]propanoate
SMILESCOC(=O)[C@H](N)CNC(=O)c1sc(-c2ccccc2)cc1NC(N)=O
InChIInChI=1S/C16H18N4O4S/c1-24-15(22)10(17)8-19-14(21)13-11(20-16(18)23)7-12(25-13)9-5-3-2-4-6-9/h2-7,10H,8,17H2,1H3,(H,19,21)(H3,18,20,23)/t10-/m1/s1
InChIKeyLYCYAWGQTKKLPN-SNVBAGLBSA-N
MW362.41 g/mol
LogP1.14
Rot. Bonds6

About methyl (2R)-2-amino-3-[[3-(carbamoylamino)-5-phenylthiophene-2-carbonyl]amino]propanoate

methyl (2R)-2-amino-3-[[3-(carbamoylamino)-5-phenylthiophene-2-carbonyl]amino]propanoate (PubChem CID 67077797) has the molecular formula C16H18N4O4S and a molecular weight of 362.41 g/mol. Its IUPAC name is methyl (2R)-2-amino-3-[[3-(carbamoylamino)-5-phenylthiophene-2-carbonyl]amino]propanoate.

Molecular Properties

Compound Namemethyl (2R)-2-amino-3-[[3-(carbamoylamino)-5-phenylthiophene-2-carbonyl]amino]propanoate
PubChem CID67077797
Molecular FormulaC16H18N4O4S
Molecular Weight362.41 g/mol
Exact Mass362.10
IUPAC Namemethyl (2R)-2-amino-3-[[3-(carbamoylamino)-5-phenylthiophene-2-carbonyl]amino]propanoate
SMILESCOC(=O)[C@H](N)CNC(=O)c1sc(-c2ccccc2)cc1NC(N)=O
InChIInChI=1S/C16H18N4O4S/c1-24-15(22)10(17)8-19-14(21)13-11(20-16(18)23)7-12(25-13)9-5-3-2-4-6-9/h2-7,10H,8,17H2,1H3,(H,19,21)(H3,18,20,23)/t10-/m1/s1
InChIKeyLYCYAWGQTKKLPN-SNVBAGLBSA-N
XLogP1.14
TPSA136.54 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 51.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze methyl (2R)-2-amino-3-[[3-(carbamoylamino)-5-phenylthiophene-2-carbonyl]amino]propanoate with MolForge

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Related Compounds

3-methoxy-N-[2-(methylamino)propyl]-5-phenylthiophene-2-carboxamide
CID 120831086
N-(2-hydroxy-3,3-dimethylbutyl)-3-methoxy-5-phenylthiophene-2-carboxamide
CID 71848991
methyl 2-amino-3-(thiophene-2-carbonylamino)propanoate
CID 22661369
N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-3-methoxy-5-phenylthiophene-2-carboxamide
CID 55853551
N-[1-[4-(carbamoylamino)phenyl]ethyl]-3-methoxy-5-phenylthiophene-2-carboxamide
CID 55961939
methyl 3-[[2-(4-methoxyphenyl)acetyl]amino]-5-phenylthiophene-2-carboxylate
CID 8718962
methyl 3-[(5-bromothiophene-2-carbonyl)amino]-5-phenylthiophene-2-carboxylate
CID 5018015
methyl 3-(1-hydroxypropan-2-ylamino)-5-phenylthiophene-2-carboxylate
CID 59752386
3-(carbamoylamino)-5-[4-[[ethyl(2-methoxyethyl)amino]methyl]phenyl]thiophene-2-carboxamide
CID 68713376
methyl 3-[(4-methylsulfanylbenzoyl)amino]-5-phenylthiophene-2-carboxylate
CID 7565351
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-methoxy-5-phenylthiophene-2-carboxamide
CID 51087309
2-O-[2-[(2-ethoxycarbonyl-5-phenylthiophen-3-yl)amino]-2-oxoethyl] 1-O-methyl benzene-1,2-dicarboxylate
CID 56504581

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-amino-3-[[3-(carbamoylamino)-5-phenylthiophene-2-carbonyl]amino]propanoate?
The IUPAC name of methyl (2R)-2-amino-3-[[3-(carbamoylamino)-5-phenylthiophene-2-carbonyl]amino]propanoate (CID 67077797) is methyl (2R)-2-amino-3-[[3-(carbamoylamino)-5-phenylthiophene-2-carbonyl]amino]propanoate.
What is the SMILES notation for methyl (2R)-2-amino-3-[[3-(carbamoylamino)-5-phenylthiophene-2-carbonyl]amino]propanoate?
The canonical SMILES for methyl (2R)-2-amino-3-[[3-(carbamoylamino)-5-phenylthiophene-2-carbonyl]amino]propanoate is COC(=O)[C@H](N)CNC(=O)c1sc(-c2ccccc2)cc1NC(N)=O.
What is the InChIKey of methyl (2R)-2-amino-3-[[3-(carbamoylamino)-5-phenylthiophene-2-carbonyl]amino]propanoate?
The InChIKey is LYCYAWGQTKKLPN-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H18N4O4S/c1-24-15(22)10(17)8-19-14(21)13-11(20-16(18)23)7-12(25-13)9-5-3-2-4-6-9/h2-7,10H,8,17H2,1H3,(H,19,21)(H3,18,20,23)/t10-/m1/s1.
What are the key properties of methyl (2R)-2-amino-3-[[3-(carbamoylamino)-5-phenylthiophene-2-carbonyl]amino]propanoate?
methyl (2R)-2-amino-3-[[3-(carbamoylamino)-5-phenylthiophene-2-carbonyl]amino]propanoate has a molecular weight of 362.41 g/mol, XLogP of 1.14, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-amino-3-[[3-(carbamoylamino)-5-phenylthiophene-2-carbonyl]amino]propanoate is sourced from PubChem (CID 67077797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).