2-cyclobutyl-2-[cyclopropyl(methyl)amino]acetic acid

C10H17NO2 — CID 116857513

IUPAC2-cyclobutyl-2-[cyclopropyl(methyl)amino]acetic acid
SMILESCN(C1CC1)C(C(=O)O)C1CCC1
InChIInChI=1S/C10H17NO2/c1-11(8-5-6-8)9(10(12)13)7-3-2-4-7/h7-9H,2-6H2,1H3,(H,12,13)
InChIKeyQYMROGHUKWYJKU-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.33
Rot. Bonds4

About 2-cyclobutyl-2-[cyclopropyl(methyl)amino]acetic acid

2-cyclobutyl-2-[cyclopropyl(methyl)amino]acetic acid (PubChem CID 116857513) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 2-cyclobutyl-2-[cyclopropyl(methyl)amino]acetic acid.

Molecular Properties

Compound Name2-cyclobutyl-2-[cyclopropyl(methyl)amino]acetic acid
PubChem CID116857513
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name2-cyclobutyl-2-[cyclopropyl(methyl)amino]acetic acid
SMILESCN(C1CC1)C(C(=O)O)C1CCC1
InChIInChI=1S/C10H17NO2/c1-11(8-5-6-8)9(10(12)13)7-3-2-4-7/h7-9H,2-6H2,1H3,(H,12,13)
InChIKeyQYMROGHUKWYJKU-UHFFFAOYSA-N
XLogP1.33
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-cyclohexyl-2-(dimethylamino)acetic acid
CID 93297325
2-[acetyl(cyclopropyl)amino]-2-cyclohexylacetic acid
CID 63703998
(2S)-2-[cyclopentyl(methyl)amino]propanoic acid;hydrochloride
CID 69352302
2-[cyclohexyl(methyl)amino]propanoic acid
CID 22906743
2-[1-cyclopentylethyl(methyl)amino]propanoic acid
CID 65060488
2-cyclopentyl-2-(dimethylamino)acetamide
CID 116914808
(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-amino-2-cyclohexylacetyl]amino]-2-cyclohexylacetyl]amino]-2-cyclohexylacetyl]amino]-2-cyclohexylacetyl]-methylamino]-2-cyclohexylacetic acid
CID 11852020
2-cyclopentyl-2-[ethyl(formyl)amino]acetic acid
CID 63689813
2-cyclohexyl-2-[formyl(propan-2-yl)amino]acetic acid
CID 63687750
4-amino-2-[cyclopropyl(methyl)amino]butanoic acid
CID 64692953
2-[cyclohexyl(methyl)amino]-3-methoxypropanoic acid
CID 103224494
(2S)-2-[cyclohexyl(deuteriomethyl)amino]propanoic acid
CID 139977637

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-2-[cyclopropyl(methyl)amino]acetic acid?
The IUPAC name of 2-cyclobutyl-2-[cyclopropyl(methyl)amino]acetic acid (CID 116857513) is 2-cyclobutyl-2-[cyclopropyl(methyl)amino]acetic acid.
What is the SMILES notation for 2-cyclobutyl-2-[cyclopropyl(methyl)amino]acetic acid?
The canonical SMILES for 2-cyclobutyl-2-[cyclopropyl(methyl)amino]acetic acid is CN(C1CC1)C(C(=O)O)C1CCC1.
What is the InChIKey of 2-cyclobutyl-2-[cyclopropyl(methyl)amino]acetic acid?
The InChIKey is QYMROGHUKWYJKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-11(8-5-6-8)9(10(12)13)7-3-2-4-7/h7-9H,2-6H2,1H3,(H,12,13).
What are the key properties of 2-cyclobutyl-2-[cyclopropyl(methyl)amino]acetic acid?
2-cyclobutyl-2-[cyclopropyl(methyl)amino]acetic acid has a molecular weight of 183.25 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-2-[cyclopropyl(methyl)amino]acetic acid is sourced from PubChem (CID 116857513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).