(2R)-3-hydroxy-2-[[1-(2-methoxyethyl)pyrazol-4-yl]carbamoylamino]propanoic acid

C10H16N4O5 — CID 80756362

IUPAC(2R)-3-hydroxy-2-[[1-(2-methoxyethyl)pyrazol-4-yl]carbamoylamino]propanoic acid
SMILESCOCCn1cc(NC(=O)N[C@H](CO)C(=O)O)cn1
InChIInChI=1S/C10H16N4O5/c1-19-3-2-14-5-7(4-11-14)12-10(18)13-8(6-15)9(16)17/h4-5,8,15H,2-3,6H2,1H3,(H,16,17)(H2,12,13,18)/t8-/m1/s1
InChIKeyMORWFPPTKBUGFE-MRVPVSSYSA-N
MW272.26 g/mol
LogP-0.90
Rot. Bonds7

About (2R)-3-hydroxy-2-[[1-(2-methoxyethyl)pyrazol-4-yl]carbamoylamino]propanoic acid

(2R)-3-hydroxy-2-[[1-(2-methoxyethyl)pyrazol-4-yl]carbamoylamino]propanoic acid (PubChem CID 80756362) has the molecular formula C10H16N4O5 and a molecular weight of 272.26 g/mol. Its IUPAC name is (2R)-3-hydroxy-2-[[1-(2-methoxyethyl)pyrazol-4-yl]carbamoylamino]propanoic acid.

Molecular Properties

Compound Name(2R)-3-hydroxy-2-[[1-(2-methoxyethyl)pyrazol-4-yl]carbamoylamino]propanoic acid
PubChem CID80756362
Molecular FormulaC10H16N4O5
Molecular Weight272.26 g/mol
Exact Mass272.11
IUPAC Name(2R)-3-hydroxy-2-[[1-(2-methoxyethyl)pyrazol-4-yl]carbamoylamino]propanoic acid
SMILESCOCCn1cc(NC(=O)N[C@H](CO)C(=O)O)cn1
InChIInChI=1S/C10H16N4O5/c1-19-3-2-14-5-7(4-11-14)12-10(18)13-8(6-15)9(16)17/h4-5,8,15H,2-3,6H2,1H3,(H,16,17)(H2,12,13,18)/t8-/m1/s1
InChIKeyMORWFPPTKBUGFE-MRVPVSSYSA-N
XLogP-0.90
TPSA125.71 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 5-0.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-2-[[1-(2-methoxyethyl)pyrazol-4-yl]carbamoylamino]-4-methylpentanoic acid
CID 78976075
2-[(1-ethylpyrazol-4-yl)carbamoylamino]-3-methoxypropanoic acid
CID 81084939
3-[[1-(2-methoxyethyl)pyrazol-4-yl]carbamoylamino]-2,2-dimethylpropanoic acid
CID 115428582
1-[1-(2-methoxyethyl)pyrazol-4-yl]-3-[(1S)-1-pyridin-3-ylethyl]urea
CID 95130176
1-[1-(2-methoxyethyl)pyrazol-4-yl]-3-[(1R)-1-pyridin-3-ylethyl]urea
CID 95130177
1-[(1S,2S)-1-(4-fluorophenyl)-1-hydroxypropan-2-yl]-3-[1-(2-methoxyethyl)pyrazol-4-yl]urea
CID 95979762
(2R)-2-amino-N-[1-(2-methoxyethyl)pyrazol-4-yl]propanamide;hydrochloride
CID 119292252
methyl N-[(2R)-1-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate
CID 95148726
1-[1-(2-methoxyethyl)pyrazol-4-yl]-3-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]urea
CID 94031414
2-[(1-ethylpyrazol-4-yl)carbamoylamino]-4-methylpentanoic acid
CID 61209725
N-[1-(2-methoxyethyl)pyrazol-4-yl]but-2-enamide
CID 78968035
(2R)-5-methoxy-2-[(1-methylpyrazol-4-yl)carbamoylamino]-5-oxopentanoic acid
CID 107826218

Frequently Asked Questions

What is the IUPAC name of (2R)-3-hydroxy-2-[[1-(2-methoxyethyl)pyrazol-4-yl]carbamoylamino]propanoic acid?
The IUPAC name of (2R)-3-hydroxy-2-[[1-(2-methoxyethyl)pyrazol-4-yl]carbamoylamino]propanoic acid (CID 80756362) is (2R)-3-hydroxy-2-[[1-(2-methoxyethyl)pyrazol-4-yl]carbamoylamino]propanoic acid.
What is the SMILES notation for (2R)-3-hydroxy-2-[[1-(2-methoxyethyl)pyrazol-4-yl]carbamoylamino]propanoic acid?
The canonical SMILES for (2R)-3-hydroxy-2-[[1-(2-methoxyethyl)pyrazol-4-yl]carbamoylamino]propanoic acid is COCCn1cc(NC(=O)N[C@H](CO)C(=O)O)cn1.
What is the InChIKey of (2R)-3-hydroxy-2-[[1-(2-methoxyethyl)pyrazol-4-yl]carbamoylamino]propanoic acid?
The InChIKey is MORWFPPTKBUGFE-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H16N4O5/c1-19-3-2-14-5-7(4-11-14)12-10(18)13-8(6-15)9(16)17/h4-5,8,15H,2-3,6H2,1H3,(H,16,17)(H2,12,13,18)/t8-/m1/s1.
What are the key properties of (2R)-3-hydroxy-2-[[1-(2-methoxyethyl)pyrazol-4-yl]carbamoylamino]propanoic acid?
(2R)-3-hydroxy-2-[[1-(2-methoxyethyl)pyrazol-4-yl]carbamoylamino]propanoic acid has a molecular weight of 272.26 g/mol, XLogP of -0.90, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-hydroxy-2-[[1-(2-methoxyethyl)pyrazol-4-yl]carbamoylamino]propanoic acid is sourced from PubChem (CID 80756362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).