3-[3-(2-methylpyrazol-3-yl)propanoyl-propan-2-ylamino]propanoic acid

C13H21N3O3 — CID 120520177

IUPAC3-[3-(2-methylpyrazol-3-yl)propanoyl-propan-2-ylamino]propanoic acid
SMILESCC(C)N(CCC(=O)O)C(=O)CCc1ccnn1C
InChIInChI=1S/C13H21N3O3/c1-10(2)16(9-7-13(18)19)12(17)5-4-11-6-8-14-15(11)3/h6,8,10H,4-5,7,9H2,1-3H3,(H,18,19)
InChIKeyZAGSHMQWHYHHKR-UHFFFAOYSA-N
MW267.33 g/mol
LogP1.06
Rot. Bonds7

About 3-[3-(2-methylpyrazol-3-yl)propanoyl-propan-2-ylamino]propanoic acid

3-[3-(2-methylpyrazol-3-yl)propanoyl-propan-2-ylamino]propanoic acid (PubChem CID 120520177) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is 3-[3-(2-methylpyrazol-3-yl)propanoyl-propan-2-ylamino]propanoic acid.

Molecular Properties

Compound Name3-[3-(2-methylpyrazol-3-yl)propanoyl-propan-2-ylamino]propanoic acid
PubChem CID120520177
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name3-[3-(2-methylpyrazol-3-yl)propanoyl-propan-2-ylamino]propanoic acid
SMILESCC(C)N(CCC(=O)O)C(=O)CCc1ccnn1C
InChIInChI=1S/C13H21N3O3/c1-10(2)16(9-7-13(18)19)12(17)5-4-11-6-8-14-15(11)3/h6,8,10H,4-5,7,9H2,1-3H3,(H,18,19)
InChIKeyZAGSHMQWHYHHKR-UHFFFAOYSA-N
XLogP1.06
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-methylpyrazole-3-carbonyl)-propan-2-ylamino]propanoic acid
CID 54926839
4-[(2-methylpyrazol-3-yl)methyl-propan-2-ylamino]butanoic acid
CID 65058245
2-[butan-2-yl-[2-(2-methylpyrazol-3-yl)ethyl]amino]acetic acid
CID 103004732
1-(2-methylpyrazol-3-yl)-4-methylsulfonylpentan-3-one
CID 103024265
11-(2-methylpyrazol-3-yl)undecanoic acid
CID 10778184
2-methyl-4-(2-methylpyrazol-3-yl)butanoic acid
CID 103005024
2-methyl-2-[methyl-[3-(2-methylpyrazol-3-yl)propanoyl]amino]propanoic acid
CID 120518879
2-[2-(2-methylpyrazol-3-yl)ethyl-propan-2-ylamino]ethanol
CID 103014020
3-[4-phenylbutanoyl(propan-2-yl)amino]propanoic acid
CID 60830563
3-[N-[(2-methylpyrazol-3-yl)methyl]anilino]propanoic acid
CID 65059465
6-[2-(2-methylpyrazol-3-yl)ethylamino]-6-oxohexanoic acid
CID 103004649
4-methyl-5-[2-(2-methylpyrazol-3-yl)ethylcarbamoylamino]pentanoic acid
CID 103009666

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-methylpyrazol-3-yl)propanoyl-propan-2-ylamino]propanoic acid?
The IUPAC name of 3-[3-(2-methylpyrazol-3-yl)propanoyl-propan-2-ylamino]propanoic acid (CID 120520177) is 3-[3-(2-methylpyrazol-3-yl)propanoyl-propan-2-ylamino]propanoic acid.
What is the SMILES notation for 3-[3-(2-methylpyrazol-3-yl)propanoyl-propan-2-ylamino]propanoic acid?
The canonical SMILES for 3-[3-(2-methylpyrazol-3-yl)propanoyl-propan-2-ylamino]propanoic acid is CC(C)N(CCC(=O)O)C(=O)CCc1ccnn1C.
What is the InChIKey of 3-[3-(2-methylpyrazol-3-yl)propanoyl-propan-2-ylamino]propanoic acid?
The InChIKey is ZAGSHMQWHYHHKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-10(2)16(9-7-13(18)19)12(17)5-4-11-6-8-14-15(11)3/h6,8,10H,4-5,7,9H2,1-3H3,(H,18,19).
What are the key properties of 3-[3-(2-methylpyrazol-3-yl)propanoyl-propan-2-ylamino]propanoic acid?
3-[3-(2-methylpyrazol-3-yl)propanoyl-propan-2-ylamino]propanoic acid has a molecular weight of 267.33 g/mol, XLogP of 1.06, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-methylpyrazol-3-yl)propanoyl-propan-2-ylamino]propanoic acid is sourced from PubChem (CID 120520177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).