2-[[2-[2-(1-amino-2-methylpropyl)-1,3-thiazol-4-yl]acetyl]amino]-3-hydroxypropanoic acid

C12H19N3O4S — CID 110450436

IUPAC2-[[2-[2-(1-amino-2-methylpropyl)-1,3-thiazol-4-yl]acetyl]amino]-3-hydroxypropanoic acid
SMILESCC(C)C(N)c1nc(CC(=O)NC(CO)C(=O)O)cs1
InChIInChI=1S/C12H19N3O4S/c1-6(2)10(13)11-14-7(5-20-11)3-9(17)15-8(4-16)12(18)19/h5-6,8,10,16H,3-4,13H2,1-2H3,(H,15,17)(H,18,19)
InChIKeySDPVWQDEIZGASR-UHFFFAOYSA-N
MW301.37 g/mol
LogP-0.10
Rot. Bonds7

About 2-[[2-[2-(1-amino-2-methylpropyl)-1,3-thiazol-4-yl]acetyl]amino]-3-hydroxypropanoic acid

2-[[2-[2-(1-amino-2-methylpropyl)-1,3-thiazol-4-yl]acetyl]amino]-3-hydroxypropanoic acid (PubChem CID 110450436) has the molecular formula C12H19N3O4S and a molecular weight of 301.37 g/mol. Its IUPAC name is 2-[[2-[2-(1-amino-2-methylpropyl)-1,3-thiazol-4-yl]acetyl]amino]-3-hydroxypropanoic acid.

Molecular Properties

Compound Name2-[[2-[2-(1-amino-2-methylpropyl)-1,3-thiazol-4-yl]acetyl]amino]-3-hydroxypropanoic acid
PubChem CID110450436
Molecular FormulaC12H19N3O4S
Molecular Weight301.37 g/mol
Exact Mass301.11
IUPAC Name2-[[2-[2-(1-amino-2-methylpropyl)-1,3-thiazol-4-yl]acetyl]amino]-3-hydroxypropanoic acid
SMILESCC(C)C(N)c1nc(CC(=O)NC(CO)C(=O)O)cs1
InChIInChI=1S/C12H19N3O4S/c1-6(2)10(13)11-14-7(5-20-11)3-9(17)15-8(4-16)12(18)19/h5-6,8,10,16H,3-4,13H2,1-2H3,(H,15,17)(H,18,19)
InChIKeySDPVWQDEIZGASR-UHFFFAOYSA-N
XLogP-0.10
TPSA125.54 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 5-0.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 2-[[2-[2-(1-amino-2-methylpropyl)-1,3-thiazol-4-yl]acetyl]amino]-3-hydroxypropanoic acid with MolForge

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Related Compounds

2-[2-(1-amino-2-methylpropyl)-1,3-thiazol-4-yl]-N-(1-hydroxybutan-2-yl)acetamide
CID 82547902
2-[[2-[2-(aminomethyl)-1,3-thiazol-4-yl]acetyl]amino]-3-hydroxypropanoic acid
CID 82547773
2-[2-(1-amino-2-methylpropyl)-1,3-thiazol-4-yl]acetic acid;hydrochloride
CID 82548148
3-hydroxy-2-[[2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetyl]amino]propanoic acid
CID 43357669
N-(1-hydroxypropan-2-yl)-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide
CID 110890212
ethyl 2-[[2-[2-(1-amino-2-methylpropyl)-1,3-thiazol-4-yl]acetyl]amino]acetate
CID 82547809
2-[2-(1-amino-2-methylpropyl)-1,3-thiazol-4-yl]-N-(2-propan-2-ylphenyl)acetamide
CID 110450658
2-[[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]amino]butanoic acid
CID 119224070
2-[[2-(2-tert-butyl-1,3-thiazol-4-yl)acetyl]amino]butanoic acid
CID 119224216
(2S)-4-hydroxy-2-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]butanoic acid
CID 107822577
2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-N-methylacetamide
CID 82547688
(2R)-2-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]pentanoic acid
CID 107564975

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[2-(1-amino-2-methylpropyl)-1,3-thiazol-4-yl]acetyl]amino]-3-hydroxypropanoic acid?
The IUPAC name of 2-[[2-[2-(1-amino-2-methylpropyl)-1,3-thiazol-4-yl]acetyl]amino]-3-hydroxypropanoic acid (CID 110450436) is 2-[[2-[2-(1-amino-2-methylpropyl)-1,3-thiazol-4-yl]acetyl]amino]-3-hydroxypropanoic acid.
What is the SMILES notation for 2-[[2-[2-(1-amino-2-methylpropyl)-1,3-thiazol-4-yl]acetyl]amino]-3-hydroxypropanoic acid?
The canonical SMILES for 2-[[2-[2-(1-amino-2-methylpropyl)-1,3-thiazol-4-yl]acetyl]amino]-3-hydroxypropanoic acid is CC(C)C(N)c1nc(CC(=O)NC(CO)C(=O)O)cs1.
What is the InChIKey of 2-[[2-[2-(1-amino-2-methylpropyl)-1,3-thiazol-4-yl]acetyl]amino]-3-hydroxypropanoic acid?
The InChIKey is SDPVWQDEIZGASR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4S/c1-6(2)10(13)11-14-7(5-20-11)3-9(17)15-8(4-16)12(18)19/h5-6,8,10,16H,3-4,13H2,1-2H3,(H,15,17)(H,18,19).
What are the key properties of 2-[[2-[2-(1-amino-2-methylpropyl)-1,3-thiazol-4-yl]acetyl]amino]-3-hydroxypropanoic acid?
2-[[2-[2-(1-amino-2-methylpropyl)-1,3-thiazol-4-yl]acetyl]amino]-3-hydroxypropanoic acid has a molecular weight of 301.37 g/mol, XLogP of -0.10, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[2-(1-amino-2-methylpropyl)-1,3-thiazol-4-yl]acetyl]amino]-3-hydroxypropanoic acid is sourced from PubChem (CID 110450436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).