(2S)-4-morpholin-4-yl-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methylcarbamoylamino]butanoic acid

C16H26N4O4S — CID 59414218

IUPAC(2S)-4-morpholin-4-yl-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methylcarbamoylamino]butanoic acid
SMILESCC(C)c1nc(CNC(=O)N[C@@H](CCN2CCOCC2)C(=O)O)cs1
InChIInChI=1S/C16H26N4O4S/c1-11(2)14-18-12(10-25-14)9-17-16(23)19-13(15(21)22)3-4-20-5-7-24-8-6-20/h10-11,13H,3-9H2,1-2H3,(H,21,22)(H2,17,19,23)/t13-/m0/s1
InChIKeyFUSIVKCIYQBHJO-ZDUSSCGKSA-N
MW370.48 g/mol
LogP1.24
Rot. Bonds8

About (2S)-4-morpholin-4-yl-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methylcarbamoylamino]butanoic acid

(2S)-4-morpholin-4-yl-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methylcarbamoylamino]butanoic acid (PubChem CID 59414218) has the molecular formula C16H26N4O4S and a molecular weight of 370.48 g/mol. Its IUPAC name is (2S)-4-morpholin-4-yl-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methylcarbamoylamino]butanoic acid.

Molecular Properties

Compound Name(2S)-4-morpholin-4-yl-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methylcarbamoylamino]butanoic acid
PubChem CID59414218
Molecular FormulaC16H26N4O4S
Molecular Weight370.48 g/mol
Exact Mass370.17
IUPAC Name(2S)-4-morpholin-4-yl-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methylcarbamoylamino]butanoic acid
SMILESCC(C)c1nc(CNC(=O)N[C@@H](CCN2CCOCC2)C(=O)O)cs1
InChIInChI=1S/C16H26N4O4S/c1-11(2)14-18-12(10-25-14)9-17-16(23)19-13(15(21)22)3-4-20-5-7-24-8-6-20/h10-11,13H,3-9H2,1-2H3,(H,21,22)(H2,17,19,23)/t13-/m0/s1
InChIKeyFUSIVKCIYQBHJO-ZDUSSCGKSA-N
XLogP1.24
TPSA103.79 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.48
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-4-morpholin-4-yl-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methylcarbamoylamino]butanoic acid?
The IUPAC name of (2S)-4-morpholin-4-yl-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methylcarbamoylamino]butanoic acid (CID 59414218) is (2S)-4-morpholin-4-yl-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methylcarbamoylamino]butanoic acid.
What is the SMILES notation for (2S)-4-morpholin-4-yl-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methylcarbamoylamino]butanoic acid?
The canonical SMILES for (2S)-4-morpholin-4-yl-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methylcarbamoylamino]butanoic acid is CC(C)c1nc(CNC(=O)N[C@@H](CCN2CCOCC2)C(=O)O)cs1.
What is the InChIKey of (2S)-4-morpholin-4-yl-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methylcarbamoylamino]butanoic acid?
The InChIKey is FUSIVKCIYQBHJO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H26N4O4S/c1-11(2)14-18-12(10-25-14)9-17-16(23)19-13(15(21)22)3-4-20-5-7-24-8-6-20/h10-11,13H,3-9H2,1-2H3,(H,21,22)(H2,17,19,23)/t13-/m0/s1.
What are the key properties of (2S)-4-morpholin-4-yl-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methylcarbamoylamino]butanoic acid?
(2S)-4-morpholin-4-yl-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methylcarbamoylamino]butanoic acid has a molecular weight of 370.48 g/mol, XLogP of 1.24, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-morpholin-4-yl-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methylcarbamoylamino]butanoic acid is sourced from PubChem (CID 59414218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).