methyl (2S)-2-[[(2-propan-2-yl-1,3-thiazol-4-yl)methyl-propylcarbamoyl]amino]propanoate

C15H25N3O3S — CID 10616209

IUPACmethyl (2S)-2-[[(2-propan-2-yl-1,3-thiazol-4-yl)methyl-propylcarbamoyl]amino]propanoate
SMILESCCCN(Cc1csc(C(C)C)n1)C(=O)N[C@@H](C)C(=O)OC
InChIInChI=1S/C15H25N3O3S/c1-6-7-18(15(20)16-11(4)14(19)21-5)8-12-9-22-13(17-12)10(2)3/h9-11H,6-8H2,1-5H3,(H,16,20)/t11-/m0/s1
InChIKeyAWUTVMCJXNDNAK-NSHDSACASA-N
MW327.45 g/mol
LogP2.75
Rot. Bonds7

About methyl (2S)-2-[[(2-propan-2-yl-1,3-thiazol-4-yl)methyl-propylcarbamoyl]amino]propanoate

methyl (2S)-2-[[(2-propan-2-yl-1,3-thiazol-4-yl)methyl-propylcarbamoyl]amino]propanoate (PubChem CID 10616209) has the molecular formula C15H25N3O3S and a molecular weight of 327.45 g/mol. Its IUPAC name is methyl (2S)-2-[[(2-propan-2-yl-1,3-thiazol-4-yl)methyl-propylcarbamoyl]amino]propanoate.

Molecular Properties

Compound Namemethyl (2S)-2-[[(2-propan-2-yl-1,3-thiazol-4-yl)methyl-propylcarbamoyl]amino]propanoate
PubChem CID10616209
Molecular FormulaC15H25N3O3S
Molecular Weight327.45 g/mol
Exact Mass327.16
IUPAC Namemethyl (2S)-2-[[(2-propan-2-yl-1,3-thiazol-4-yl)methyl-propylcarbamoyl]amino]propanoate
SMILESCCCN(Cc1csc(C(C)C)n1)C(=O)N[C@@H](C)C(=O)OC
InChIInChI=1S/C15H25N3O3S/c1-6-7-18(15(20)16-11(4)14(19)21-5)8-12-9-22-13(17-12)10(2)3/h9-11H,6-8H2,1-5H3,(H,16,20)/t11-/m0/s1
InChIKeyAWUTVMCJXNDNAK-NSHDSACASA-N
XLogP2.75
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl (2S)-2-[[(2-propan-2-yl-1,3-thiazol-4-yl)methyl-propylcarbamoyl]amino]propanoate with MolForge

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Related Compounds

methyl (2S)-2-amino-3-methylbutanoate;(2S)-3-methyl-2-[[(2-propan-2-yl-1,3-thiazol-4-yl)methyl-propylcarbamoyl]amino]butanoic acid
CID 70075528
methyl (2S)-2-[[cyclopropyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]propanoate
CID 10663834
(2S)-2-[[ethyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]propanoic acid
CID 10614110
(2S)-3-[(2-methylpropan-2-yl)oxy]-2-[[(2-propan-2-yl-1,3-thiazol-4-yl)methyl-propylcarbamoyl]amino]propanoic acid
CID 71132367
methyl (2S)-3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]pentanoate
CID 59131480
methyl (2S)-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]pentanoate
CID 118297816
methyl 2-(dipropylcarbamoylamino)propanoate
CID 3752223
methyl 3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-4-oxobutanoate
CID 72525208
methyl (2S)-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-4-oxopentanoate;molecular iodine
CID 90705945
3-[(Z)-2-aminoethenyl]-1-methyl-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]urea
CID 70837873
ethyl 2-[[2-methylpropyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]acetate
CID 10783432
methyl (2S)-3-methyl-2-[[[(2-methylpropan-2-yl)oxycarbonylamino]-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoate
CID 54275115

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[[(2-propan-2-yl-1,3-thiazol-4-yl)methyl-propylcarbamoyl]amino]propanoate?
The IUPAC name of methyl (2S)-2-[[(2-propan-2-yl-1,3-thiazol-4-yl)methyl-propylcarbamoyl]amino]propanoate (CID 10616209) is methyl (2S)-2-[[(2-propan-2-yl-1,3-thiazol-4-yl)methyl-propylcarbamoyl]amino]propanoate.
What is the SMILES notation for methyl (2S)-2-[[(2-propan-2-yl-1,3-thiazol-4-yl)methyl-propylcarbamoyl]amino]propanoate?
The canonical SMILES for methyl (2S)-2-[[(2-propan-2-yl-1,3-thiazol-4-yl)methyl-propylcarbamoyl]amino]propanoate is CCCN(Cc1csc(C(C)C)n1)C(=O)N[C@@H](C)C(=O)OC.
What is the InChIKey of methyl (2S)-2-[[(2-propan-2-yl-1,3-thiazol-4-yl)methyl-propylcarbamoyl]amino]propanoate?
The InChIKey is AWUTVMCJXNDNAK-NSHDSACASA-N. The full InChI is InChI=1S/C15H25N3O3S/c1-6-7-18(15(20)16-11(4)14(19)21-5)8-12-9-22-13(17-12)10(2)3/h9-11H,6-8H2,1-5H3,(H,16,20)/t11-/m0/s1.
What are the key properties of methyl (2S)-2-[[(2-propan-2-yl-1,3-thiazol-4-yl)methyl-propylcarbamoyl]amino]propanoate?
methyl (2S)-2-[[(2-propan-2-yl-1,3-thiazol-4-yl)methyl-propylcarbamoyl]amino]propanoate has a molecular weight of 327.45 g/mol, XLogP of 2.75, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[[(2-propan-2-yl-1,3-thiazol-4-yl)methyl-propylcarbamoyl]amino]propanoate is sourced from PubChem (CID 10616209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).