2-[butan-2-yl(1,3-thiazol-4-ylmethyl)amino]acetic acid

C10H16N2O2S — CID 60833411

IUPAC2-[butan-2-yl(1,3-thiazol-4-ylmethyl)amino]acetic acid
SMILESCCC(C)N(CC(=O)O)Cc1cscn1
InChIInChI=1S/C10H16N2O2S/c1-3-8(2)12(5-10(13)14)4-9-6-15-7-11-9/h6-8H,3-5H2,1-2H3,(H,13,14)
InChIKeySYVPCXUUCRSBNG-UHFFFAOYSA-N
MW228.32 g/mol
LogP1.83
Rot. Bonds6

About 2-[butan-2-yl(1,3-thiazol-4-ylmethyl)amino]acetic acid

2-[butan-2-yl(1,3-thiazol-4-ylmethyl)amino]acetic acid (PubChem CID 60833411) has the molecular formula C10H16N2O2S and a molecular weight of 228.32 g/mol. Its IUPAC name is 2-[butan-2-yl(1,3-thiazol-4-ylmethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[butan-2-yl(1,3-thiazol-4-ylmethyl)amino]acetic acid
PubChem CID60833411
Molecular FormulaC10H16N2O2S
Molecular Weight228.32 g/mol
Exact Mass228.09
IUPAC Name2-[butan-2-yl(1,3-thiazol-4-ylmethyl)amino]acetic acid
SMILESCCC(C)N(CC(=O)O)Cc1cscn1
InChIInChI=1S/C10H16N2O2S/c1-3-8(2)12(5-10(13)14)4-9-6-15-7-11-9/h6-8H,3-5H2,1-2H3,(H,13,14)
InChIKeySYVPCXUUCRSBNG-UHFFFAOYSA-N
XLogP1.83
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[methyl(1,3-thiazol-4-ylmethyl)carbamoyl]-propan-2-ylamino]acetic acid
CID 55011796
(2R)-N-(1,3-thiazol-4-ylmethyl)-N-(thiophen-3-ylmethyl)butan-2-amine
CID 124855434
3-[[methyl(1,3-thiazol-4-ylmethyl)carbamoyl]-propan-2-ylamino]propanoic acid
CID 55011798
(2R)-3-methyl-2-(1,3-thiazol-4-ylmethyl)butanoic acid
CID 69472054
2-[butan-2-yl(thiophen-2-ylmethyl)amino]acetic acid
CID 60833114
(2R)-2-amino-N-methyl-N-(1,3-thiazol-4-ylmethyl)propanamide
CID 78974670
2-[methyl(1,3-thiazol-4-ylmethyl)amino]-1-phenylbutan-1-one
CID 62053006
ethyl 2-[methyl(1,3-thiazol-4-ylmethyl)amino]butanoate
CID 64662480
2-[butan-2-yl(2-methylpropyl)amino]acetic acid
CID 60835163
3-amino-4-[methyl(1,3-thiazol-4-ylmethyl)amino]-4-oxobutanoic acid
CID 64896543
2-[methyl-[3-(1,3-thiazol-4-yl)propanoyl]amino]acetic acid
CID 115729778
2-[butan-2-yl-[(2-hydroxyphenyl)methyl]amino]acetic acid
CID 65057446

Frequently Asked Questions

What is the IUPAC name of 2-[butan-2-yl(1,3-thiazol-4-ylmethyl)amino]acetic acid?
The IUPAC name of 2-[butan-2-yl(1,3-thiazol-4-ylmethyl)amino]acetic acid (CID 60833411) is 2-[butan-2-yl(1,3-thiazol-4-ylmethyl)amino]acetic acid.
What is the SMILES notation for 2-[butan-2-yl(1,3-thiazol-4-ylmethyl)amino]acetic acid?
The canonical SMILES for 2-[butan-2-yl(1,3-thiazol-4-ylmethyl)amino]acetic acid is CCC(C)N(CC(=O)O)Cc1cscn1.
What is the InChIKey of 2-[butan-2-yl(1,3-thiazol-4-ylmethyl)amino]acetic acid?
The InChIKey is SYVPCXUUCRSBNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S/c1-3-8(2)12(5-10(13)14)4-9-6-15-7-11-9/h6-8H,3-5H2,1-2H3,(H,13,14).
What are the key properties of 2-[butan-2-yl(1,3-thiazol-4-ylmethyl)amino]acetic acid?
2-[butan-2-yl(1,3-thiazol-4-ylmethyl)amino]acetic acid has a molecular weight of 228.32 g/mol, XLogP of 1.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butan-2-yl(1,3-thiazol-4-ylmethyl)amino]acetic acid is sourced from PubChem (CID 60833411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).