[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl]-[(S)-phenyl(thiophen-2-yl)methyl]azanium

C15H18N3O2S+ — CID 8863293

IUPAC[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl]-[(S)-phenyl(thiophen-2-yl)methyl]azanium
SMILESC[C@H]([NH2+][C@@H](c1ccccc1)c1cccs1)C(=O)NC(N)=O
InChIInChI=1S/C15H17N3O2S/c1-10(14(19)18-15(16)20)17-13(12-8-5-9-21-12)11-6-3-2-4-7-11/h2-10,13,17H,1H3,(H3,16,18,19,20)/p+1/t10-,13-/m0/s1
InChIKeyCKIORXZZYXZKGS-GWCFXTLKSA-O
MW304.40 g/mol
LogP0.98
Rot. Bonds5

About [(2S)-1-(carbamoylamino)-1-oxopropan-2-yl]-[(S)-phenyl(thiophen-2-yl)methyl]azanium

[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl]-[(S)-phenyl(thiophen-2-yl)methyl]azanium (PubChem CID 8863293) has the molecular formula C15H18N3O2S+ and a molecular weight of 304.40 g/mol. Its IUPAC name is [(2S)-1-(carbamoylamino)-1-oxopropan-2-yl]-[(S)-phenyl(thiophen-2-yl)methyl]azanium.

Molecular Properties

Compound Name[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl]-[(S)-phenyl(thiophen-2-yl)methyl]azanium
PubChem CID8863293
Molecular FormulaC15H18N3O2S+
Molecular Weight304.40 g/mol
Exact Mass304.11
IUPAC Name[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl]-[(S)-phenyl(thiophen-2-yl)methyl]azanium
SMILESC[C@H]([NH2+][C@@H](c1ccccc1)c1cccs1)C(=O)NC(N)=O
InChIInChI=1S/C15H17N3O2S/c1-10(14(19)18-15(16)20)17-13(12-8-5-9-21-12)11-6-3-2-4-7-11/h2-10,13,17H,1H3,(H3,16,18,19,20)/p+1/t10-,13-/m0/s1
InChIKeyCKIORXZZYXZKGS-GWCFXTLKSA-O
XLogP0.98
TPSA88.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.40
LogP ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(carbamoylamino)-1-oxopropan-2-yl]-[(S)-phenyl(thiophen-2-yl)methyl]azanium?
The IUPAC name of [(2S)-1-(carbamoylamino)-1-oxopropan-2-yl]-[(S)-phenyl(thiophen-2-yl)methyl]azanium (CID 8863293) is [(2S)-1-(carbamoylamino)-1-oxopropan-2-yl]-[(S)-phenyl(thiophen-2-yl)methyl]azanium.
What is the SMILES notation for [(2S)-1-(carbamoylamino)-1-oxopropan-2-yl]-[(S)-phenyl(thiophen-2-yl)methyl]azanium?
The canonical SMILES for [(2S)-1-(carbamoylamino)-1-oxopropan-2-yl]-[(S)-phenyl(thiophen-2-yl)methyl]azanium is C[C@H]([NH2+][C@@H](c1ccccc1)c1cccs1)C(=O)NC(N)=O.
What is the InChIKey of [(2S)-1-(carbamoylamino)-1-oxopropan-2-yl]-[(S)-phenyl(thiophen-2-yl)methyl]azanium?
The InChIKey is CKIORXZZYXZKGS-GWCFXTLKSA-O. The full InChI is InChI=1S/C15H17N3O2S/c1-10(14(19)18-15(16)20)17-13(12-8-5-9-21-12)11-6-3-2-4-7-11/h2-10,13,17H,1H3,(H3,16,18,19,20)/p+1/t10-,13-/m0/s1.
What are the key properties of [(2S)-1-(carbamoylamino)-1-oxopropan-2-yl]-[(S)-phenyl(thiophen-2-yl)methyl]azanium?
[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl]-[(S)-phenyl(thiophen-2-yl)methyl]azanium has a molecular weight of 304.40 g/mol, XLogP of 0.98, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(carbamoylamino)-1-oxopropan-2-yl]-[(S)-phenyl(thiophen-2-yl)methyl]azanium is sourced from PubChem (CID 8863293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).