2-[tert-butyl(cyclopropylmethyl)amino]acetic acid

C10H19NO2 — CID 79268654

IUPAC2-[tert-butyl(cyclopropylmethyl)amino]acetic acid
SMILESCC(C)(C)N(CC(=O)O)CC1CC1
InChIInChI=1S/C10H19NO2/c1-10(2,3)11(7-9(12)13)6-8-4-5-8/h8H,4-7H2,1-3H3,(H,12,13)
InChIKeyANIBKGVXEJMAMI-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.58
Rot. Bonds4

About 2-[tert-butyl(cyclopropylmethyl)amino]acetic acid

2-[tert-butyl(cyclopropylmethyl)amino]acetic acid (PubChem CID 79268654) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 2-[tert-butyl(cyclopropylmethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[tert-butyl(cyclopropylmethyl)amino]acetic acid
PubChem CID79268654
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name2-[tert-butyl(cyclopropylmethyl)amino]acetic acid
SMILESCC(C)(C)N(CC(=O)O)CC1CC1
InChIInChI=1S/C10H19NO2/c1-10(2,3)11(7-9(12)13)6-8-4-5-8/h8H,4-7H2,1-3H3,(H,12,13)
InChIKeyANIBKGVXEJMAMI-UHFFFAOYSA-N
XLogP1.58
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[tert-butyl(cyclopropylmethyl)amino]propan-2-one
CID 170224298
2-[tert-butyl(2-cyclopropylethyl)amino]acetic acid
CID 79268300
2-[tert-butyl-[(3-methylcyclohexyl)methyl]amino]acetic acid
CID 79268970
2-[tert-butyl-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]amino]acetic acid
CID 79269392
2-[(2-amino-2-methylbutanoyl)-(cyclopropylmethyl)amino]acetic acid
CID 79805439
2-[tert-butyl(2-oxobutyl)amino]acetic acid
CID 89002120
2-[(6-amino-4,4-dimethylhexanoyl)-(cyclopropylmethyl)amino]acetic acid
CID 65292062
2-[cyclopropylmethyl-[methyl(2-methylbutan-2-yl)carbamoyl]amino]acetic acid
CID 63960082
2-[cyclopropylmethyl(2-cyclopropylpropan-2-ylcarbamoyl)amino]acetic acid
CID 114111594
2-[cyclopropylmethyl-[2-(2,2-dimethylpropanoylamino)acetyl]amino]acetic acid
CID 43655471
2-[carboxymethyl(1,1-dihydroxyethyl)amino]acetic acid
CID 22044432
2-[cyclopropylmethyl-(3-methylcyclobutyl)amino]acetic acid
CID 103565060

Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl(cyclopropylmethyl)amino]acetic acid?
The IUPAC name of 2-[tert-butyl(cyclopropylmethyl)amino]acetic acid (CID 79268654) is 2-[tert-butyl(cyclopropylmethyl)amino]acetic acid.
What is the SMILES notation for 2-[tert-butyl(cyclopropylmethyl)amino]acetic acid?
The canonical SMILES for 2-[tert-butyl(cyclopropylmethyl)amino]acetic acid is CC(C)(C)N(CC(=O)O)CC1CC1.
What is the InChIKey of 2-[tert-butyl(cyclopropylmethyl)amino]acetic acid?
The InChIKey is ANIBKGVXEJMAMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-10(2,3)11(7-9(12)13)6-8-4-5-8/h8H,4-7H2,1-3H3,(H,12,13).
What are the key properties of 2-[tert-butyl(cyclopropylmethyl)amino]acetic acid?
2-[tert-butyl(cyclopropylmethyl)amino]acetic acid has a molecular weight of 185.27 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl(cyclopropylmethyl)amino]acetic acid is sourced from PubChem (CID 79268654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).