methyl 2-[(2-hydroxy-3-pyrazol-1-ylpropyl)amino]propanoate

C10H17N3O3 — CID 61499693

IUPACmethyl 2-[(2-hydroxy-3-pyrazol-1-ylpropyl)amino]propanoate
SMILESCOC(=O)C(C)NCC(O)Cn1cccn1
InChIInChI=1S/C10H17N3O3/c1-8(10(15)16-2)11-6-9(14)7-13-5-3-4-12-13/h3-5,8-9,11,14H,6-7H2,1-2H3
InChIKeyJCGHUPLVAWIVIK-UHFFFAOYSA-N
MW227.26 g/mol
LogP-0.60
Rot. Bonds6

About methyl 2-[(2-hydroxy-3-pyrazol-1-ylpropyl)amino]propanoate

methyl 2-[(2-hydroxy-3-pyrazol-1-ylpropyl)amino]propanoate (PubChem CID 61499693) has the molecular formula C10H17N3O3 and a molecular weight of 227.26 g/mol. Its IUPAC name is methyl 2-[(2-hydroxy-3-pyrazol-1-ylpropyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 2-[(2-hydroxy-3-pyrazol-1-ylpropyl)amino]propanoate
PubChem CID61499693
Molecular FormulaC10H17N3O3
Molecular Weight227.26 g/mol
Exact Mass227.13
IUPAC Namemethyl 2-[(2-hydroxy-3-pyrazol-1-ylpropyl)amino]propanoate
SMILESCOC(=O)C(C)NCC(O)Cn1cccn1
InChIInChI=1S/C10H17N3O3/c1-8(10(15)16-2)11-6-9(14)7-13-5-3-4-12-13/h3-5,8-9,11,14H,6-7H2,1-2H3
InChIKeyJCGHUPLVAWIVIK-UHFFFAOYSA-N
XLogP-0.60
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 5-0.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl (2R)-2-methyl-3-pyrazol-1-ylpropanoate
CID 42574632
1-(2-methoxyethoxyamino)-3-pyrazol-1-ylpropan-2-ol
CID 82722523
1-(2-methylpropylamino)-3-pyrazol-1-ylpropan-2-ol
CID 60904302
1-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]-3-pyrazol-1-ylpropan-2-ol
CID 81371484
1-[[(1R)-1-phenylethyl]amino]-3-pyrazol-1-ylpropan-2-ol
CID 63867828
1-(1-pyrazol-1-ylpropan-2-ylamino)butan-2-ol
CID 61462811
1-pyrazol-1-yl-3-[[(1S)-1-pyridin-4-ylethyl]amino]propan-2-ol
CID 81410027
methyl 2-(2,2-dihydroxyethylamino)propanoate
CID 150482479
(2R)-1-methoxy-3-pyrazol-1-ylpropan-2-ol
CID 131206814
N-ethyl-2-[(2-hydroxy-3-pyrazol-1-ylpropyl)amino]acetamide
CID 60910442
1-(pent-1-yn-3-ylamino)-3-pyrazol-1-ylpropan-2-ol
CID 106229335
1-(1-phenylpropan-2-ylamino)-3-pyrazol-1-ylpropan-2-ol
CID 63011260

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-hydroxy-3-pyrazol-1-ylpropyl)amino]propanoate?
The IUPAC name of methyl 2-[(2-hydroxy-3-pyrazol-1-ylpropyl)amino]propanoate (CID 61499693) is methyl 2-[(2-hydroxy-3-pyrazol-1-ylpropyl)amino]propanoate.
What is the SMILES notation for methyl 2-[(2-hydroxy-3-pyrazol-1-ylpropyl)amino]propanoate?
The canonical SMILES for methyl 2-[(2-hydroxy-3-pyrazol-1-ylpropyl)amino]propanoate is COC(=O)C(C)NCC(O)Cn1cccn1.
What is the InChIKey of methyl 2-[(2-hydroxy-3-pyrazol-1-ylpropyl)amino]propanoate?
The InChIKey is JCGHUPLVAWIVIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3/c1-8(10(15)16-2)11-6-9(14)7-13-5-3-4-12-13/h3-5,8-9,11,14H,6-7H2,1-2H3.
What are the key properties of methyl 2-[(2-hydroxy-3-pyrazol-1-ylpropyl)amino]propanoate?
methyl 2-[(2-hydroxy-3-pyrazol-1-ylpropyl)amino]propanoate has a molecular weight of 227.26 g/mol, XLogP of -0.60, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-hydroxy-3-pyrazol-1-ylpropyl)amino]propanoate is sourced from PubChem (CID 61499693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).