2-methyl-2-[methyl-[1-(1-methylpyrazol-4-yl)ethylcarbamoyl]amino]propanoic acid

C12H20N4O3 — CID 114189000

IUPAC2-methyl-2-[methyl-[1-(1-methylpyrazol-4-yl)ethylcarbamoyl]amino]propanoic acid
SMILESCC(NC(=O)N(C)C(C)(C)C(=O)O)c1cnn(C)c1
InChIInChI=1S/C12H20N4O3/c1-8(9-6-13-15(4)7-9)14-11(19)16(5)12(2,3)10(17)18/h6-8H,1-5H3,(H,14,19)(H,17,18)
InChIKeyGNHMVSPNVOSMRE-UHFFFAOYSA-N
MW268.32 g/mol
LogP0.99
Rot. Bonds4

About 2-methyl-2-[methyl-[1-(1-methylpyrazol-4-yl)ethylcarbamoyl]amino]propanoic acid

2-methyl-2-[methyl-[1-(1-methylpyrazol-4-yl)ethylcarbamoyl]amino]propanoic acid (PubChem CID 114189000) has the molecular formula C12H20N4O3 and a molecular weight of 268.32 g/mol. Its IUPAC name is 2-methyl-2-[methyl-[1-(1-methylpyrazol-4-yl)ethylcarbamoyl]amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[methyl-[1-(1-methylpyrazol-4-yl)ethylcarbamoyl]amino]propanoic acid
PubChem CID114189000
Molecular FormulaC12H20N4O3
Molecular Weight268.32 g/mol
Exact Mass268.15
IUPAC Name2-methyl-2-[methyl-[1-(1-methylpyrazol-4-yl)ethylcarbamoyl]amino]propanoic acid
SMILESCC(NC(=O)N(C)C(C)(C)C(=O)O)c1cnn(C)c1
InChIInChI=1S/C12H20N4O3/c1-8(9-6-13-15(4)7-9)14-11(19)16(5)12(2,3)10(17)18/h6-8H,1-5H3,(H,14,19)(H,17,18)
InChIKeyGNHMVSPNVOSMRE-UHFFFAOYSA-N
XLogP0.99
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,3-dimethyl-N-[1-(1-methylpyrazol-4-yl)ethyl]butanamide
CID 45147216
2-methyl-2-[methyl-[(1-methylpyrazol-4-yl)methylcarbamoyl]amino]propanoic acid
CID 62820296
1-ethyl-3-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]-1-(2,2,2-trifluoroethyl)urea
CID 126440506
(2S,3R)-3-hydroxy-2-[1-(1-methylpyrazol-4-yl)ethylcarbamoylamino]butanoic acid
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2-methoxy-N-[1-(1-methylpyrazol-4-yl)ethyl]acetamide
CID 110470530
1-(1-methylpyrazol-4-yl)ethylthiourea
CID 130520619
2-(tert-butylcarbamoylamino)-2-(1-methylpyrazol-4-yl)acetic acid
CID 115288293
1-methyl-1-[(2-methyl-1,3-dihydroisoindol-5-yl)methyl]-3-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]urea
CID 126444909
3-amino-2-methyl-N-[1-(1-methylpyrazol-4-yl)ethyl]-3-phenylpropanamide
CID 119781515
2-chloro-N-[1-(1-methylpyrazol-4-yl)ethyl]benzamide
CID 110472970
2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylcarbamoyl-methylamino]-2-methylpropanoic acid
CID 79241574
1-(3-hydroxybutyl)-3-[1-(1-methylpyrazol-4-yl)ethyl]urea
CID 111507032

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[methyl-[1-(1-methylpyrazol-4-yl)ethylcarbamoyl]amino]propanoic acid?
The IUPAC name of 2-methyl-2-[methyl-[1-(1-methylpyrazol-4-yl)ethylcarbamoyl]amino]propanoic acid (CID 114189000) is 2-methyl-2-[methyl-[1-(1-methylpyrazol-4-yl)ethylcarbamoyl]amino]propanoic acid.
What is the SMILES notation for 2-methyl-2-[methyl-[1-(1-methylpyrazol-4-yl)ethylcarbamoyl]amino]propanoic acid?
The canonical SMILES for 2-methyl-2-[methyl-[1-(1-methylpyrazol-4-yl)ethylcarbamoyl]amino]propanoic acid is CC(NC(=O)N(C)C(C)(C)C(=O)O)c1cnn(C)c1.
What is the InChIKey of 2-methyl-2-[methyl-[1-(1-methylpyrazol-4-yl)ethylcarbamoyl]amino]propanoic acid?
The InChIKey is GNHMVSPNVOSMRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3/c1-8(9-6-13-15(4)7-9)14-11(19)16(5)12(2,3)10(17)18/h6-8H,1-5H3,(H,14,19)(H,17,18).
What are the key properties of 2-methyl-2-[methyl-[1-(1-methylpyrazol-4-yl)ethylcarbamoyl]amino]propanoic acid?
2-methyl-2-[methyl-[1-(1-methylpyrazol-4-yl)ethylcarbamoyl]amino]propanoic acid has a molecular weight of 268.32 g/mol, XLogP of 0.99, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[methyl-[1-(1-methylpyrazol-4-yl)ethylcarbamoyl]amino]propanoic acid is sourced from PubChem (CID 114189000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).