2-[(4S)-4-[acetyl(methyl)amino]-1-oxa-9-azaspiro[5.5]undecan-9-yl]acetic acid

C14H24N2O4 — CID 124976892

IUPAC2-[(4S)-4-[acetyl(methyl)amino]-1-oxa-9-azaspiro[5.5]undecan-9-yl]acetic acid
SMILESCC(=O)N(C)[C@H]1CCOC2(CCN(CC(=O)O)CC2)C1
InChIInChI=1S/C14H24N2O4/c1-11(17)15(2)12-3-8-20-14(9-12)4-6-16(7-5-14)10-13(18)19/h12H,3-10H2,1-2H3,(H,18,19)/t12-/m0/s1
InChIKeyLIRACIOKRGVVLJ-LBPRGKRZSA-N
MW284.36 g/mol
LogP0.56
Rot. Bonds3

About 2-[(4S)-4-[acetyl(methyl)amino]-1-oxa-9-azaspiro[5.5]undecan-9-yl]acetic acid

2-[(4S)-4-[acetyl(methyl)amino]-1-oxa-9-azaspiro[5.5]undecan-9-yl]acetic acid (PubChem CID 124976892) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-[(4S)-4-[acetyl(methyl)amino]-1-oxa-9-azaspiro[5.5]undecan-9-yl]acetic acid.

Molecular Properties

Compound Name2-[(4S)-4-[acetyl(methyl)amino]-1-oxa-9-azaspiro[5.5]undecan-9-yl]acetic acid
PubChem CID124976892
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Name2-[(4S)-4-[acetyl(methyl)amino]-1-oxa-9-azaspiro[5.5]undecan-9-yl]acetic acid
SMILESCC(=O)N(C)[C@H]1CCOC2(CCN(CC(=O)O)CC2)C1
InChIInChI=1S/C14H24N2O4/c1-11(17)15(2)12-3-8-20-14(9-12)4-6-16(7-5-14)10-13(18)19/h12H,3-10H2,1-2H3,(H,18,19)/t12-/m0/s1
InChIKeyLIRACIOKRGVVLJ-LBPRGKRZSA-N
XLogP0.56
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4S)-9-(1H-imidazol-2-ylmethyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]-N-methylacetamide
CID 124991686
N-methyl-N-(9-pyrimidin-2-yl-1-oxa-9-azaspiro[5.5]undecan-4-yl)acetamide
CID 110131080
N-[(4S)-9-(4-benzyl-1-methylpiperidine-4-carbonyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]-N-methylacetamide
CID 124990915
2-[methyl(5-oxaspiro[3.5]nonan-8-yl)amino]acetic acid
CID 79894267
2-[(3S)-3-(N-ethylanilino)-1-oxa-8-azaspiro[4.5]decan-8-yl]acetic acid
CID 124943295
N-ethyl-N-[(4R)-9-(2-phenylethyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide
CID 125026764
2-[carboxymethyl(5-oxaspiro[3.5]nonan-8-yl)amino]acetic acid
CID 79893758
4-(dimethylamino)-N-phenyl-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide
CID 91919087
2-[carboxymethyl(1-oxaspiro[5.5]undecan-4-yl)amino]acetic acid
CID 79894522
2-[4-(2,6-dioxaspiro[4.5]decan-9-yl)piperazin-1-yl]acetic acid
CID 79894117
2-[1,9-dioxaspiro[5.5]undecan-4-yl(ethyl)amino]acetic acid
CID 79894049
2-[cyclopropyl(6-oxaspiro[4.5]decan-9-yl)amino]acetic acid
CID 79894047

Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-4-[acetyl(methyl)amino]-1-oxa-9-azaspiro[5.5]undecan-9-yl]acetic acid?
The IUPAC name of 2-[(4S)-4-[acetyl(methyl)amino]-1-oxa-9-azaspiro[5.5]undecan-9-yl]acetic acid (CID 124976892) is 2-[(4S)-4-[acetyl(methyl)amino]-1-oxa-9-azaspiro[5.5]undecan-9-yl]acetic acid.
What is the SMILES notation for 2-[(4S)-4-[acetyl(methyl)amino]-1-oxa-9-azaspiro[5.5]undecan-9-yl]acetic acid?
The canonical SMILES for 2-[(4S)-4-[acetyl(methyl)amino]-1-oxa-9-azaspiro[5.5]undecan-9-yl]acetic acid is CC(=O)N(C)[C@H]1CCOC2(CCN(CC(=O)O)CC2)C1.
What is the InChIKey of 2-[(4S)-4-[acetyl(methyl)amino]-1-oxa-9-azaspiro[5.5]undecan-9-yl]acetic acid?
The InChIKey is LIRACIOKRGVVLJ-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-11(17)15(2)12-3-8-20-14(9-12)4-6-16(7-5-14)10-13(18)19/h12H,3-10H2,1-2H3,(H,18,19)/t12-/m0/s1.
What are the key properties of 2-[(4S)-4-[acetyl(methyl)amino]-1-oxa-9-azaspiro[5.5]undecan-9-yl]acetic acid?
2-[(4S)-4-[acetyl(methyl)amino]-1-oxa-9-azaspiro[5.5]undecan-9-yl]acetic acid has a molecular weight of 284.36 g/mol, XLogP of 0.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-4-[acetyl(methyl)amino]-1-oxa-9-azaspiro[5.5]undecan-9-yl]acetic acid is sourced from PubChem (CID 124976892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).