(2R)-3-hydroxy-2-[4-(thiophene-2-carbonylamino)butanoylamino]propanoic acid

C12H16N2O5S — CID 80748969

IUPAC(2R)-3-hydroxy-2-[4-(thiophene-2-carbonylamino)butanoylamino]propanoic acid
SMILESO=C(CCCNC(=O)c1cccs1)N[C@H](CO)C(=O)O
InChIInChI=1S/C12H16N2O5S/c15-7-8(12(18)19)14-10(16)4-1-5-13-11(17)9-3-2-6-20-9/h2-3,6,8,15H,1,4-5,7H2,(H,13,17)(H,14,16)(H,18,19)/t8-/m1/s1
InChIKeyHFIVXNWJDOWJID-MRVPVSSYSA-N
MW300.34 g/mol
LogP-0.18
Rot. Bonds8

About (2R)-3-hydroxy-2-[4-(thiophene-2-carbonylamino)butanoylamino]propanoic acid

(2R)-3-hydroxy-2-[4-(thiophene-2-carbonylamino)butanoylamino]propanoic acid (PubChem CID 80748969) has the molecular formula C12H16N2O5S and a molecular weight of 300.34 g/mol. Its IUPAC name is (2R)-3-hydroxy-2-[4-(thiophene-2-carbonylamino)butanoylamino]propanoic acid.

Molecular Properties

Compound Name(2R)-3-hydroxy-2-[4-(thiophene-2-carbonylamino)butanoylamino]propanoic acid
PubChem CID80748969
Molecular FormulaC12H16N2O5S
Molecular Weight300.34 g/mol
Exact Mass300.08
IUPAC Name(2R)-3-hydroxy-2-[4-(thiophene-2-carbonylamino)butanoylamino]propanoic acid
SMILESO=C(CCCNC(=O)c1cccs1)N[C@H](CO)C(=O)O
InChIInChI=1S/C12H16N2O5S/c15-7-8(12(18)19)14-10(16)4-1-5-13-11(17)9-3-2-6-20-9/h2-3,6,8,15H,1,4-5,7H2,(H,13,17)(H,14,16)(H,18,19)/t8-/m1/s1
InChIKeyHFIVXNWJDOWJID-MRVPVSSYSA-N
XLogP-0.18
TPSA115.73 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 5-0.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2R)-4-hydroxy-2-[4-(thiophene-2-carbonylamino)butanoylamino]butanoic acid
CID 107822711
(2S,3R)-3-hydroxy-2-[4-(thiophene-2-carbonylamino)butanoylamino]butanoic acid
CID 104964883
2-[3-(thiophene-2-carbonylamino)propanoylamino]hexanoic acid
CID 43469860
4-(thiophene-2-carbonylamino)butanoic acid
CID 3149370
N-[4-(5-methylhexan-2-ylamino)-4-oxobutyl]thiophene-2-carboxamide
CID 78794704
N-[4-[(1-hydroxy-4-methylpentan-3-yl)amino]-4-oxobutyl]thiophene-2-carboxamide
CID 103782548
N-[4-(1-methoxypropan-2-ylamino)-4-oxobutyl]thiophene-2-carboxamide
CID 51180809
N-[4-[[(4-methylphenyl)-phenylmethyl]amino]-4-oxobutyl]thiophene-2-carboxamide
CID 55368199
2-methyl-5-[3-(thiophene-2-carbonylamino)propanoylamino]pentanoic acid
CID 104682695
N-[3-(3-methylbutan-2-ylamino)-3-oxopropyl]thiophene-2-carboxamide
CID 43043080
N-[3-[(4-hydroxy-3-methylbutan-2-yl)amino]-3-oxopropyl]thiophene-2-carboxamide
CID 115770942
N-[4-oxo-4-[[(1R)-1-(3-sulfamoylphenyl)ethyl]amino]butyl]thiophene-2-carboxamide
CID 51907293

Frequently Asked Questions

What is the IUPAC name of (2R)-3-hydroxy-2-[4-(thiophene-2-carbonylamino)butanoylamino]propanoic acid?
The IUPAC name of (2R)-3-hydroxy-2-[4-(thiophene-2-carbonylamino)butanoylamino]propanoic acid (CID 80748969) is (2R)-3-hydroxy-2-[4-(thiophene-2-carbonylamino)butanoylamino]propanoic acid.
What is the SMILES notation for (2R)-3-hydroxy-2-[4-(thiophene-2-carbonylamino)butanoylamino]propanoic acid?
The canonical SMILES for (2R)-3-hydroxy-2-[4-(thiophene-2-carbonylamino)butanoylamino]propanoic acid is O=C(CCCNC(=O)c1cccs1)N[C@H](CO)C(=O)O.
What is the InChIKey of (2R)-3-hydroxy-2-[4-(thiophene-2-carbonylamino)butanoylamino]propanoic acid?
The InChIKey is HFIVXNWJDOWJID-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H16N2O5S/c15-7-8(12(18)19)14-10(16)4-1-5-13-11(17)9-3-2-6-20-9/h2-3,6,8,15H,1,4-5,7H2,(H,13,17)(H,14,16)(H,18,19)/t8-/m1/s1.
What are the key properties of (2R)-3-hydroxy-2-[4-(thiophene-2-carbonylamino)butanoylamino]propanoic acid?
(2R)-3-hydroxy-2-[4-(thiophene-2-carbonylamino)butanoylamino]propanoic acid has a molecular weight of 300.34 g/mol, XLogP of -0.18, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-hydroxy-2-[4-(thiophene-2-carbonylamino)butanoylamino]propanoic acid is sourced from PubChem (CID 80748969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).