(2R)-2-[3-(3,5-dimethylpyrazol-1-yl)propylcarbamoylamino]pentanoic acid

C14H24N4O3 — CID 107567749

IUPAC(2R)-2-[3-(3,5-dimethylpyrazol-1-yl)propylcarbamoylamino]pentanoic acid
SMILESCCC[C@@H](NC(=O)NCCCn1nc(C)cc1C)C(=O)O
InChIInChI=1S/C14H24N4O3/c1-4-6-12(13(19)20)16-14(21)15-7-5-8-18-11(3)9-10(2)17-18/h9,12H,4-8H2,1-3H3,(H,19,20)(H2,15,16,21)/t12-/m1/s1
InChIKeyQKSFRIOYCVWGLH-GFCCVEGCSA-N
MW296.37 g/mol
LogP1.44
Rot. Bonds8

About (2R)-2-[3-(3,5-dimethylpyrazol-1-yl)propylcarbamoylamino]pentanoic acid

(2R)-2-[3-(3,5-dimethylpyrazol-1-yl)propylcarbamoylamino]pentanoic acid (PubChem CID 107567749) has the molecular formula C14H24N4O3 and a molecular weight of 296.37 g/mol. Its IUPAC name is (2R)-2-[3-(3,5-dimethylpyrazol-1-yl)propylcarbamoylamino]pentanoic acid.

Molecular Properties

Compound Name(2R)-2-[3-(3,5-dimethylpyrazol-1-yl)propylcarbamoylamino]pentanoic acid
PubChem CID107567749
Molecular FormulaC14H24N4O3
Molecular Weight296.37 g/mol
Exact Mass296.18
IUPAC Name(2R)-2-[3-(3,5-dimethylpyrazol-1-yl)propylcarbamoylamino]pentanoic acid
SMILESCCC[C@@H](NC(=O)NCCCn1nc(C)cc1C)C(=O)O
InChIInChI=1S/C14H24N4O3/c1-4-6-12(13(19)20)16-14(21)15-7-5-8-18-11(3)9-10(2)17-18/h9,12H,4-8H2,1-3H3,(H,19,20)(H2,15,16,21)/t12-/m1/s1
InChIKeyQKSFRIOYCVWGLH-GFCCVEGCSA-N
XLogP1.44
TPSA96.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-butyl-3-[3-(3,5-dimethylpyrazol-1-yl)propyl]urea
CID 19332430
2-[3-(3,5-dimethylpyrazol-1-yl)propylcarbamoylamino]acetic acid
CID 113363032
1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-(2-methyl-1-phenylpropyl)urea
CID 86999484
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methylpropanamide
CID 115571202
2-chloro-N-[3-(3,5-dimethylpyrazol-1-yl)propylcarbamoyl]propanamide
CID 114538986
ethyl 2-[3-(3,5-dimethylpyrazol-1-yl)propylcarbamoylamino]acetate
CID 115571558
N-butyl-2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]acetamide
CID 115573473
1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-[2-(methanesulfonamido)ethyl]urea
CID 86993163
5-amino-2-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]-5-oxopentanoic acid
CID 43171953
1-N,4-N-bis[3-(3,5-dimethylpyrazol-1-yl)propyl]benzene-1,4-dicarboxamide
CID 43020223
1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-[3-(2-methylpropoxy)propyl]urea
CID 78880670
1-[3-(3,5-dimethylpyrazol-1-yl)propylcarbamoylamino]cyclobutane-1-carboxylic acid
CID 114538459

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[3-(3,5-dimethylpyrazol-1-yl)propylcarbamoylamino]pentanoic acid?
The IUPAC name of (2R)-2-[3-(3,5-dimethylpyrazol-1-yl)propylcarbamoylamino]pentanoic acid (CID 107567749) is (2R)-2-[3-(3,5-dimethylpyrazol-1-yl)propylcarbamoylamino]pentanoic acid.
What is the SMILES notation for (2R)-2-[3-(3,5-dimethylpyrazol-1-yl)propylcarbamoylamino]pentanoic acid?
The canonical SMILES for (2R)-2-[3-(3,5-dimethylpyrazol-1-yl)propylcarbamoylamino]pentanoic acid is CCC[C@@H](NC(=O)NCCCn1nc(C)cc1C)C(=O)O.
What is the InChIKey of (2R)-2-[3-(3,5-dimethylpyrazol-1-yl)propylcarbamoylamino]pentanoic acid?
The InChIKey is QKSFRIOYCVWGLH-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H24N4O3/c1-4-6-12(13(19)20)16-14(21)15-7-5-8-18-11(3)9-10(2)17-18/h9,12H,4-8H2,1-3H3,(H,19,20)(H2,15,16,21)/t12-/m1/s1.
What are the key properties of (2R)-2-[3-(3,5-dimethylpyrazol-1-yl)propylcarbamoylamino]pentanoic acid?
(2R)-2-[3-(3,5-dimethylpyrazol-1-yl)propylcarbamoylamino]pentanoic acid has a molecular weight of 296.37 g/mol, XLogP of 1.44, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[3-(3,5-dimethylpyrazol-1-yl)propylcarbamoylamino]pentanoic acid is sourced from PubChem (CID 107567749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).