2-[ethyl-[(2-methylcyclopropyl)carbamoyl]amino]-2-methylpropanoic acid

C11H20N2O3 — CID 62819971

IUPAC2-[ethyl-[(2-methylcyclopropyl)carbamoyl]amino]-2-methylpropanoic acid
SMILESCCN(C(=O)NC1CC1C)C(C)(C)C(=O)O
InChIInChI=1S/C11H20N2O3/c1-5-13(11(3,4)9(14)15)10(16)12-8-6-7(8)2/h7-8H,5-6H2,1-4H3,(H,12,16)(H,14,15)
InChIKeyUMXUQOQMALWTGC-UHFFFAOYSA-N
MW228.29 g/mol
LogP1.29
Rot. Bonds4

About 2-[ethyl-[(2-methylcyclopropyl)carbamoyl]amino]-2-methylpropanoic acid

2-[ethyl-[(2-methylcyclopropyl)carbamoyl]amino]-2-methylpropanoic acid (PubChem CID 62819971) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 2-[ethyl-[(2-methylcyclopropyl)carbamoyl]amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[ethyl-[(2-methylcyclopropyl)carbamoyl]amino]-2-methylpropanoic acid
PubChem CID62819971
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name2-[ethyl-[(2-methylcyclopropyl)carbamoyl]amino]-2-methylpropanoic acid
SMILESCCN(C(=O)NC1CC1C)C(C)(C)C(=O)O
InChIInChI=1S/C11H20N2O3/c1-5-13(11(3,4)9(14)15)10(16)12-8-6-7(8)2/h7-8H,5-6H2,1-4H3,(H,12,16)(H,14,15)
InChIKeyUMXUQOQMALWTGC-UHFFFAOYSA-N
XLogP1.29
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(1,1-dioxothian-4-yl)carbamoyl-ethylamino]-2-methylpropanoic acid
CID 62822169
2-[(2,6-dimethylpiperidin-1-yl)carbamoyl-ethylamino]-2-methylpropanoic acid
CID 83019830
2-[ethyl(2-methylprop-2-enylcarbamoyl)amino]-2-methylpropanoic acid
CID 114618190
2-[2-cyclopropylpropan-2-ylcarbamoyl(ethyl)amino]-2-methylpropanoic acid
CID 114111563
2-[ethyl-[(4-methylpiperazin-1-yl)carbamoyl]amino]-2-methylpropanoic acid
CID 83020326
2-[ethyl-[(5-oxopyrrolidin-3-yl)carbamoyl]amino]-2-methylpropanoic acid
CID 106191674
2-[ethyl-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]amino]-2-methylpropanoic acid
CID 63859529
1,1-dimethyl-3-(2-methylcyclopropyl)urea
CID 115608993
2-[ethyl-[(1-propan-2-ylcyclopropyl)methylcarbamoyl]amino]-2-methylpropanoic acid
CID 114114333
2-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoyl-ethylamino]-2-methylpropanoic acid
CID 114167559
3-(2,3-dimethylcyclobutyl)-1-ethyl-1-methylurea
CID 130865499
2-[2-[cyclopropyl(methyl)amino]ethylcarbamoyl-ethylamino]-2-methylpropanoic acid
CID 62978545

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[(2-methylcyclopropyl)carbamoyl]amino]-2-methylpropanoic acid?
The IUPAC name of 2-[ethyl-[(2-methylcyclopropyl)carbamoyl]amino]-2-methylpropanoic acid (CID 62819971) is 2-[ethyl-[(2-methylcyclopropyl)carbamoyl]amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[ethyl-[(2-methylcyclopropyl)carbamoyl]amino]-2-methylpropanoic acid?
The canonical SMILES for 2-[ethyl-[(2-methylcyclopropyl)carbamoyl]amino]-2-methylpropanoic acid is CCN(C(=O)NC1CC1C)C(C)(C)C(=O)O.
What is the InChIKey of 2-[ethyl-[(2-methylcyclopropyl)carbamoyl]amino]-2-methylpropanoic acid?
The InChIKey is UMXUQOQMALWTGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-5-13(11(3,4)9(14)15)10(16)12-8-6-7(8)2/h7-8H,5-6H2,1-4H3,(H,12,16)(H,14,15).
What are the key properties of 2-[ethyl-[(2-methylcyclopropyl)carbamoyl]amino]-2-methylpropanoic acid?
2-[ethyl-[(2-methylcyclopropyl)carbamoyl]amino]-2-methylpropanoic acid has a molecular weight of 228.29 g/mol, XLogP of 1.29, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[(2-methylcyclopropyl)carbamoyl]amino]-2-methylpropanoic acid is sourced from PubChem (CID 62819971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).