2-hydroxy-3-(3-pyrazol-1-ylpropylcarbamoylamino)propanoic acid

C10H16N4O4 — CID 113413056

IUPAC2-hydroxy-3-(3-pyrazol-1-ylpropylcarbamoylamino)propanoic acid
SMILESO=C(NCCCn1cccn1)NCC(O)C(=O)O
InChIInChI=1S/C10H16N4O4/c15-8(9(16)17)7-12-10(18)11-3-1-5-14-6-2-4-13-14/h2,4,6,8,15H,1,3,5,7H2,(H,16,17)(H2,11,12,18)
InChIKeyGYEGHHPFXSWIHF-UHFFFAOYSA-N
MW256.26 g/mol
LogP-0.98
Rot. Bonds7

About 2-hydroxy-3-(3-pyrazol-1-ylpropylcarbamoylamino)propanoic acid

2-hydroxy-3-(3-pyrazol-1-ylpropylcarbamoylamino)propanoic acid (PubChem CID 113413056) has the molecular formula C10H16N4O4 and a molecular weight of 256.26 g/mol. Its IUPAC name is 2-hydroxy-3-(3-pyrazol-1-ylpropylcarbamoylamino)propanoic acid.

Molecular Properties

Compound Name2-hydroxy-3-(3-pyrazol-1-ylpropylcarbamoylamino)propanoic acid
PubChem CID113413056
Molecular FormulaC10H16N4O4
Molecular Weight256.26 g/mol
Exact Mass256.12
IUPAC Name2-hydroxy-3-(3-pyrazol-1-ylpropylcarbamoylamino)propanoic acid
SMILESO=C(NCCCn1cccn1)NCC(O)C(=O)O
InChIInChI=1S/C10H16N4O4/c15-8(9(16)17)7-12-10(18)11-3-1-5-14-6-2-4-13-14/h2,4,6,8,15H,1,3,5,7H2,(H,16,17)(H2,11,12,18)
InChIKeyGYEGHHPFXSWIHF-UHFFFAOYSA-N
XLogP-0.98
TPSA116.48 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 5-0.98
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2-hydroxypentyl)-3-(3-pyrazol-1-ylpropyl)urea
CID 111337992
3-methoxy-4-(3-pyrazol-1-ylpropylcarbamoylamino)butanoic acid
CID 103159909
(2S)-2-hydroxy-3-(3-imidazol-1-ylpropylcarbamoylamino)propanoic acid
CID 114007106
(2S)-4-hydroxy-2-(3-pyrazol-1-ylpropylcarbamoylamino)butanoic acid
CID 114005816
1-(3-pyrazol-1-ylpropyl)-3-(2,2,2-trifluoroethyl)urea
CID 113223590
5-amino-5-oxo-2-(3-pyrazol-1-ylpropylcarbamoylamino)pentanoic acid
CID 103995727
1-(3-pyrazol-1-ylpropyl)-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea
CID 86931524
2-(2-pyrazol-1-ylethylcarbamoylamino)acetic acid
CID 61461230
3-methyl-N-(3-pyrazol-1-ylpropyl)butanamide
CID 51077805
2-methyl-3-pyrazol-1-yl-N-(3-pyrazol-1-ylpropyl)propanamide
CID 131920894
1-(1-cyclopropylethyl)-3-(3-pyrazol-1-ylpropyl)urea
CID 47221371
1-(furan-2-ylmethyl)-3-(3-pyrazol-1-ylpropyl)urea
CID 47176690

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-(3-pyrazol-1-ylpropylcarbamoylamino)propanoic acid?
The IUPAC name of 2-hydroxy-3-(3-pyrazol-1-ylpropylcarbamoylamino)propanoic acid (CID 113413056) is 2-hydroxy-3-(3-pyrazol-1-ylpropylcarbamoylamino)propanoic acid.
What is the SMILES notation for 2-hydroxy-3-(3-pyrazol-1-ylpropylcarbamoylamino)propanoic acid?
The canonical SMILES for 2-hydroxy-3-(3-pyrazol-1-ylpropylcarbamoylamino)propanoic acid is O=C(NCCCn1cccn1)NCC(O)C(=O)O.
What is the InChIKey of 2-hydroxy-3-(3-pyrazol-1-ylpropylcarbamoylamino)propanoic acid?
The InChIKey is GYEGHHPFXSWIHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O4/c15-8(9(16)17)7-12-10(18)11-3-1-5-14-6-2-4-13-14/h2,4,6,8,15H,1,3,5,7H2,(H,16,17)(H2,11,12,18).
What are the key properties of 2-hydroxy-3-(3-pyrazol-1-ylpropylcarbamoylamino)propanoic acid?
2-hydroxy-3-(3-pyrazol-1-ylpropylcarbamoylamino)propanoic acid has a molecular weight of 256.26 g/mol, XLogP of -0.98, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-(3-pyrazol-1-ylpropylcarbamoylamino)propanoic acid is sourced from PubChem (CID 113413056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).