2-[butan-2-yl(spiro[2.4]heptane-2-carbonyl)amino]acetic acid

C14H23NO3 — CID 119955004

IUPAC2-[butan-2-yl(spiro[2.4]heptane-2-carbonyl)amino]acetic acid
SMILESCCC(C)N(CC(=O)O)C(=O)C1CC12CCCC2
InChIInChI=1S/C14H23NO3/c1-3-10(2)15(9-12(16)17)13(18)11-8-14(11)6-4-5-7-14/h10-11H,3-9H2,1-2H3,(H,16,17)
InChIKeyCVKOQCHPAGLLRR-UHFFFAOYSA-N
MW253.34 g/mol
LogP2.28
Rot. Bonds5

About 2-[butan-2-yl(spiro[2.4]heptane-2-carbonyl)amino]acetic acid

2-[butan-2-yl(spiro[2.4]heptane-2-carbonyl)amino]acetic acid (PubChem CID 119955004) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 2-[butan-2-yl(spiro[2.4]heptane-2-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[butan-2-yl(spiro[2.4]heptane-2-carbonyl)amino]acetic acid
PubChem CID119955004
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name2-[butan-2-yl(spiro[2.4]heptane-2-carbonyl)amino]acetic acid
SMILESCCC(C)N(CC(=O)O)C(=O)C1CC12CCCC2
InChIInChI=1S/C14H23NO3/c1-3-10(2)15(9-12(16)17)13(18)11-8-14(11)6-4-5-7-14/h10-11H,3-9H2,1-2H3,(H,16,17)
InChIKeyCVKOQCHPAGLLRR-UHFFFAOYSA-N
XLogP2.28
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[methyl(spiro[2.4]heptane-2-carbonyl)amino]propanoic acid
CID 119209159
2-[butan-2-yl(oxane-3-carbonyl)amino]acetic acid
CID 55110283
2-[butan-2-yl-[(3,3-dimethylcyclopentyl)carbamoyl]amino]acetic acid
CID 114549103
2-[butan-2-yl-[ethyl(oxolan-2-ylmethyl)carbamoyl]amino]acetic acid
CID 61439234
N-(2-methylpropyl)-N-pentan-3-yl-6-azaspiro[2.5]octane-2-carboxamide
CID 79491626
2-[butan-2-yl-(4-methylpyrrolidine-3-carbonyl)amino]acetic acid
CID 63716507
2-[2-(dimethylamino)ethyl-[(2S)-spiro[2.2]pentane-2-carbonyl]amino]acetic acid
CID 126431608
2-[butan-2-yl-(6-oxopiperidine-3-carbonyl)amino]acetic acid
CID 113318991
2-[[butan-2-yl(ethyl)carbamoyl]-ethylamino]acetic acid
CID 61198906
3-methyl-2-(spiro[2.4]heptane-2-carbonylamino)pentanoic acid
CID 119211845
2-[butan-2-yl-(2-cyclohexylacetyl)amino]acetic acid
CID 60828230
2-[butan-2-yl(6-oxaspiro[4.5]decan-9-yl)amino]acetic acid
CID 79894511

Frequently Asked Questions

What is the IUPAC name of 2-[butan-2-yl(spiro[2.4]heptane-2-carbonyl)amino]acetic acid?
The IUPAC name of 2-[butan-2-yl(spiro[2.4]heptane-2-carbonyl)amino]acetic acid (CID 119955004) is 2-[butan-2-yl(spiro[2.4]heptane-2-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[butan-2-yl(spiro[2.4]heptane-2-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[butan-2-yl(spiro[2.4]heptane-2-carbonyl)amino]acetic acid is CCC(C)N(CC(=O)O)C(=O)C1CC12CCCC2.
What is the InChIKey of 2-[butan-2-yl(spiro[2.4]heptane-2-carbonyl)amino]acetic acid?
The InChIKey is CVKOQCHPAGLLRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-3-10(2)15(9-12(16)17)13(18)11-8-14(11)6-4-5-7-14/h10-11H,3-9H2,1-2H3,(H,16,17).
What are the key properties of 2-[butan-2-yl(spiro[2.4]heptane-2-carbonyl)amino]acetic acid?
2-[butan-2-yl(spiro[2.4]heptane-2-carbonyl)amino]acetic acid has a molecular weight of 253.34 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butan-2-yl(spiro[2.4]heptane-2-carbonyl)amino]acetic acid is sourced from PubChem (CID 119955004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).