(2S)-3-hydroxy-2-[[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]amino]propanoic acid

C11H16N4O4S — CID 61185673

IUPAC(2S)-3-hydroxy-2-[[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]amino]propanoic acid
SMILESO=C(O)[C@H](CO)NC(=O)N1CCN(c2nccs2)CC1
InChIInChI=1S/C11H16N4O4S/c16-7-8(9(17)18)13-10(19)14-2-4-15(5-3-14)11-12-1-6-20-11/h1,6,8,16H,2-5,7H2,(H,13,19)(H,17,18)/t8-/m0/s1
InChIKeyJUWSKLMVGBRLPN-QMMMGPOBSA-N
MW300.34 g/mol
LogP-0.58
Rot. Bonds4

About (2S)-3-hydroxy-2-[[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]amino]propanoic acid

(2S)-3-hydroxy-2-[[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]amino]propanoic acid (PubChem CID 61185673) has the molecular formula C11H16N4O4S and a molecular weight of 300.34 g/mol. Its IUPAC name is (2S)-3-hydroxy-2-[[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]amino]propanoic acid.

Molecular Properties

Compound Name(2S)-3-hydroxy-2-[[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]amino]propanoic acid
PubChem CID61185673
Molecular FormulaC11H16N4O4S
Molecular Weight300.34 g/mol
Exact Mass300.09
IUPAC Name(2S)-3-hydroxy-2-[[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]amino]propanoic acid
SMILESO=C(O)[C@H](CO)NC(=O)N1CCN(c2nccs2)CC1
InChIInChI=1S/C11H16N4O4S/c16-7-8(9(17)18)13-10(19)14-2-4-15(5-3-14)11-12-1-6-20-11/h1,6,8,16H,2-5,7H2,(H,13,19)(H,17,18)/t8-/m0/s1
InChIKeyJUWSKLMVGBRLPN-QMMMGPOBSA-N
XLogP-0.58
TPSA106.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 5-0.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (2S)-3-hydroxy-2-[[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]amino]propanoic acid with MolForge

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Related Compounds

(2S)-2-[[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]amino]pentanoic acid
CID 107565977
2-(propan-2-ylamino)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone
CID 60841085
N-(1-pyrazol-1-ylpropan-2-yl)-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 51084477
N-[1-oxo-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-2-yl]acetamide
CID 24645578
N-(4-aminophenyl)-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 43468985
ethyl 2-[[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]amino]acetate
CID 43445563
(2S)-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonylamino)-3-hydroxypropanoic acid
CID 63026894
cyclopropyl-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 53498835
1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]butan-1-one
CID 158048076
N-(2-phenylpropyl)-4-(1,3-thiazol-2-yl)-1,4-diazepane-1-carboxamide
CID 48508752
2-ethoxy-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone
CID 60708282
2-hydroxy-2-phenyl-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone
CID 111432215

Frequently Asked Questions

What is the IUPAC name of (2S)-3-hydroxy-2-[[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]amino]propanoic acid?
The IUPAC name of (2S)-3-hydroxy-2-[[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]amino]propanoic acid (CID 61185673) is (2S)-3-hydroxy-2-[[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]amino]propanoic acid.
What is the SMILES notation for (2S)-3-hydroxy-2-[[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]amino]propanoic acid?
The canonical SMILES for (2S)-3-hydroxy-2-[[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]amino]propanoic acid is O=C(O)[C@H](CO)NC(=O)N1CCN(c2nccs2)CC1.
What is the InChIKey of (2S)-3-hydroxy-2-[[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]amino]propanoic acid?
The InChIKey is JUWSKLMVGBRLPN-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H16N4O4S/c16-7-8(9(17)18)13-10(19)14-2-4-15(5-3-14)11-12-1-6-20-11/h1,6,8,16H,2-5,7H2,(H,13,19)(H,17,18)/t8-/m0/s1.
What are the key properties of (2S)-3-hydroxy-2-[[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]amino]propanoic acid?
(2S)-3-hydroxy-2-[[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]amino]propanoic acid has a molecular weight of 300.34 g/mol, XLogP of -0.58, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-hydroxy-2-[[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]amino]propanoic acid is sourced from PubChem (CID 61185673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).