2-[cyclopropylmethyl(2-cyclopropylpropan-2-ylcarbamoyl)amino]acetic acid

C13H22N2O3 — CID 114111594

IUPAC2-[cyclopropylmethyl(2-cyclopropylpropan-2-ylcarbamoyl)amino]acetic acid
SMILESCC(C)(NC(=O)N(CC(=O)O)CC1CC1)C1CC1
InChIInChI=1S/C13H22N2O3/c1-13(2,10-5-6-10)14-12(18)15(8-11(16)17)7-9-3-4-9/h9-10H,3-8H2,1-2H3,(H,14,18)(H,16,17)
InChIKeyUVDIHPVRZKYSQL-UHFFFAOYSA-N
MW254.33 g/mol
LogP1.68
Rot. Bonds6

About 2-[cyclopropylmethyl(2-cyclopropylpropan-2-ylcarbamoyl)amino]acetic acid

2-[cyclopropylmethyl(2-cyclopropylpropan-2-ylcarbamoyl)amino]acetic acid (PubChem CID 114111594) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 2-[cyclopropylmethyl(2-cyclopropylpropan-2-ylcarbamoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropylmethyl(2-cyclopropylpropan-2-ylcarbamoyl)amino]acetic acid
PubChem CID114111594
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name2-[cyclopropylmethyl(2-cyclopropylpropan-2-ylcarbamoyl)amino]acetic acid
SMILESCC(C)(NC(=O)N(CC(=O)O)CC1CC1)C1CC1
InChIInChI=1S/C13H22N2O3/c1-13(2,10-5-6-10)14-12(18)15(8-11(16)17)7-9-3-4-9/h9-10H,3-8H2,1-2H3,(H,14,18)(H,16,17)
InChIKeyUVDIHPVRZKYSQL-UHFFFAOYSA-N
XLogP1.68
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[Bis(cyclopropylmethyl)carbamoylamino]-3,3,3-trifluoro-2-methylpropanoic acid
CID 79789312
2-[2-Cyclopropylpropylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 103997570
2-[2-Cyclopropylpropan-2-ylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 114111608
2-[Methyl(4-methylpentan-2-ylcarbamoyl)amino]acetic acid
CID 43372502
2-[1-Cyclopropylethylcarbamoyl(methyl)amino]acetic acid
CID 43533689
2-[[1-Cyclopropylethyl(methyl)carbamoyl]amino]acetic acid
CID 43569555
2-[Cyclopropylmethyl(propylcarbamoyl)amino]acetic acid
CID 43655718
2-[Cyclopropylmethyl(2-methylbutan-2-ylcarbamoyl)amino]acetic acid
CID 43655721
2-[Tert-butylcarbamoyl(cyclopropylmethyl)amino]acetic acid
CID 43655735
2-[Cyclopropylmethyl(propan-2-ylcarbamoyl)amino]acetic acid
CID 43655744
2-[Butan-2-ylcarbamoyl(cyclopropylmethyl)amino]acetic acid
CID 43655763
2-[Cyclopropylcarbamoyl(cyclopropylmethyl)amino]acetic acid
CID 43655769

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl(2-cyclopropylpropan-2-ylcarbamoyl)amino]acetic acid?
The IUPAC name of 2-[cyclopropylmethyl(2-cyclopropylpropan-2-ylcarbamoyl)amino]acetic acid (CID 114111594) is 2-[cyclopropylmethyl(2-cyclopropylpropan-2-ylcarbamoyl)amino]acetic acid.
What is the SMILES notation for 2-[cyclopropylmethyl(2-cyclopropylpropan-2-ylcarbamoyl)amino]acetic acid?
The canonical SMILES for 2-[cyclopropylmethyl(2-cyclopropylpropan-2-ylcarbamoyl)amino]acetic acid is CC(C)(NC(=O)N(CC(=O)O)CC1CC1)C1CC1.
What is the InChIKey of 2-[cyclopropylmethyl(2-cyclopropylpropan-2-ylcarbamoyl)amino]acetic acid?
The InChIKey is UVDIHPVRZKYSQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-13(2,10-5-6-10)14-12(18)15(8-11(16)17)7-9-3-4-9/h9-10H,3-8H2,1-2H3,(H,14,18)(H,16,17).
What are the key properties of 2-[cyclopropylmethyl(2-cyclopropylpropan-2-ylcarbamoyl)amino]acetic acid?
2-[cyclopropylmethyl(2-cyclopropylpropan-2-ylcarbamoyl)amino]acetic acid has a molecular weight of 254.33 g/mol, XLogP of 1.68, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl(2-cyclopropylpropan-2-ylcarbamoyl)amino]acetic acid is sourced from PubChem (CID 114111594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).