(2R)-5-amino-5-oxo-2-(1,3-thiazol-4-ylmethylcarbamoylamino)pentanoic acid

C10H14N4O4S — CID 98583925

IUPAC(2R)-5-amino-5-oxo-2-(1,3-thiazol-4-ylmethylcarbamoylamino)pentanoic acid
SMILESNC(=O)CC[C@@H](NC(=O)NCc1cscn1)C(=O)O
InChIInChI=1S/C10H14N4O4S/c11-8(15)2-1-7(9(16)17)14-10(18)12-3-6-4-19-5-13-6/h4-5,7H,1-3H2,(H2,11,15)(H,16,17)(H2,12,14,18)/t7-/m1/s1
InChIKeyQDODCYSFWISASV-SSDOTTSWSA-N
MW286.31 g/mol
LogP-0.34
Rot. Bonds7

About (2R)-5-amino-5-oxo-2-(1,3-thiazol-4-ylmethylcarbamoylamino)pentanoic acid

(2R)-5-amino-5-oxo-2-(1,3-thiazol-4-ylmethylcarbamoylamino)pentanoic acid (PubChem CID 98583925) has the molecular formula C10H14N4O4S and a molecular weight of 286.31 g/mol. Its IUPAC name is (2R)-5-amino-5-oxo-2-(1,3-thiazol-4-ylmethylcarbamoylamino)pentanoic acid.

Molecular Properties

Compound Name(2R)-5-amino-5-oxo-2-(1,3-thiazol-4-ylmethylcarbamoylamino)pentanoic acid
PubChem CID98583925
Molecular FormulaC10H14N4O4S
Molecular Weight286.31 g/mol
Exact Mass286.07
IUPAC Name(2R)-5-amino-5-oxo-2-(1,3-thiazol-4-ylmethylcarbamoylamino)pentanoic acid
SMILESNC(=O)CC[C@@H](NC(=O)NCc1cscn1)C(=O)O
InChIInChI=1S/C10H14N4O4S/c11-8(15)2-1-7(9(16)17)14-10(18)12-3-6-4-19-5-13-6/h4-5,7H,1-3H2,(H2,11,15)(H,16,17)(H2,12,14,18)/t7-/m1/s1
InChIKeyQDODCYSFWISASV-SSDOTTSWSA-N
XLogP-0.34
TPSA134.41 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 5-0.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-5-amino-2-(benzylcarbamoylamino)-5-oxopentanoic acid
CID 61181145
(2R)-5-amino-2-(1,2,4-oxadiazol-3-ylmethylcarbamoylamino)-5-oxopentanoic acid
CID 106403428
2-methyl-4-(1,3-thiazol-4-ylmethylcarbamoylamino)butanoic acid
CID 80540931
(2S)-5-amino-2-[(3-methyl-2-pyridinyl)methylcarbamoylamino]-5-oxopentanoic acid
CID 63309082
(2S)-4-methylsulfanyl-2-[2-(1,3-thiazol-4-yl)ethylcarbamoylamino]butanoic acid
CID 63823624
(2R)-5-amino-2-[(3-methylthiophen-2-yl)methylcarbamoylamino]-5-oxopentanoic acid
CID 107831006
(2R)-5-amino-2-[(1,5-dimethylpyrazol-4-yl)methylcarbamoylamino]-5-oxopentanoic acid
CID 106037774
1-[(1R)-3-hydroxy-1-phenylpropyl]-3-(1,3-thiazol-4-ylmethyl)urea
CID 111454997
1-methyl-3-(1,3-thiazol-4-ylmethyl)urea
CID 23548401
3-phenyl-3-(1,3-thiazol-4-ylmethylcarbamoylamino)propanoic acid
CID 63825576
(2R)-5-amino-2-[(1-methylcyclopentyl)methylcarbamoylamino]-5-oxopentanoic acid
CID 107830897
2-(thiophen-3-ylmethylcarbamoylamino)pentanedioic acid
CID 55175256

Frequently Asked Questions

What is the IUPAC name of (2R)-5-amino-5-oxo-2-(1,3-thiazol-4-ylmethylcarbamoylamino)pentanoic acid?
The IUPAC name of (2R)-5-amino-5-oxo-2-(1,3-thiazol-4-ylmethylcarbamoylamino)pentanoic acid (CID 98583925) is (2R)-5-amino-5-oxo-2-(1,3-thiazol-4-ylmethylcarbamoylamino)pentanoic acid.
What is the SMILES notation for (2R)-5-amino-5-oxo-2-(1,3-thiazol-4-ylmethylcarbamoylamino)pentanoic acid?
The canonical SMILES for (2R)-5-amino-5-oxo-2-(1,3-thiazol-4-ylmethylcarbamoylamino)pentanoic acid is NC(=O)CC[C@@H](NC(=O)NCc1cscn1)C(=O)O.
What is the InChIKey of (2R)-5-amino-5-oxo-2-(1,3-thiazol-4-ylmethylcarbamoylamino)pentanoic acid?
The InChIKey is QDODCYSFWISASV-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H14N4O4S/c11-8(15)2-1-7(9(16)17)14-10(18)12-3-6-4-19-5-13-6/h4-5,7H,1-3H2,(H2,11,15)(H,16,17)(H2,12,14,18)/t7-/m1/s1.
What are the key properties of (2R)-5-amino-5-oxo-2-(1,3-thiazol-4-ylmethylcarbamoylamino)pentanoic acid?
(2R)-5-amino-5-oxo-2-(1,3-thiazol-4-ylmethylcarbamoylamino)pentanoic acid has a molecular weight of 286.31 g/mol, XLogP of -0.34, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-amino-5-oxo-2-(1,3-thiazol-4-ylmethylcarbamoylamino)pentanoic acid is sourced from PubChem (CID 98583925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).