2-[(4S)-4-(hydroxymethyl)-2-azaspiro[4.5]decan-2-yl]acetic acid

C12H21NO3 — CID 129495518

IUPAC2-[(4S)-4-(hydroxymethyl)-2-azaspiro[4.5]decan-2-yl]acetic acid
SMILESO=C(O)CN1C[C@@H](CO)C2(CCCCC2)C1
InChIInChI=1S/C12H21NO3/c14-8-10-6-13(7-11(15)16)9-12(10)4-2-1-3-5-12/h10,14H,1-9H2,(H,15,16)/t10-/m0/s1
InChIKeyBLXYLNAWEVMJEI-JTQLQIEISA-N
MW227.30 g/mol
LogP0.95
Rot. Bonds3

About 2-[(4S)-4-(hydroxymethyl)-2-azaspiro[4.5]decan-2-yl]acetic acid

2-[(4S)-4-(hydroxymethyl)-2-azaspiro[4.5]decan-2-yl]acetic acid (PubChem CID 129495518) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is 2-[(4S)-4-(hydroxymethyl)-2-azaspiro[4.5]decan-2-yl]acetic acid.

Molecular Properties

Compound Name2-[(4S)-4-(hydroxymethyl)-2-azaspiro[4.5]decan-2-yl]acetic acid
PubChem CID129495518
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Name2-[(4S)-4-(hydroxymethyl)-2-azaspiro[4.5]decan-2-yl]acetic acid
SMILESO=C(O)CN1C[C@@H](CO)C2(CCCCC2)C1
InChIInChI=1S/C12H21NO3/c14-8-10-6-13(7-11(15)16)9-12(10)4-2-1-3-5-12/h10,14H,1-9H2,(H,15,16)/t10-/m0/s1
InChIKeyBLXYLNAWEVMJEI-JTQLQIEISA-N
XLogP0.95
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N'-hydroxy-2-[(4R)-4-(hydroxymethyl)-2-azaspiro[4.5]decan-2-yl]ethanimidamide
CID 129498463
[(4S)-2-amino-2-azaspiro[4.4]nonan-4-yl]methanol
CID 129497777
[(8S)-6-amino-6-azaspiro[3.4]octan-8-yl]methanol
CID 129496100
(6-amino-6-azaspiro[3.4]octan-8-yl)methanol
CID 121204402
[2-(2-azidoethyl)-2-azaspiro[4.4]nonan-4-yl]methanol
CID 121202806
3-[4-(hydroxymethyl)-2-azaspiro[4.4]nonan-2-yl]-3-oxopropanenitrile
CID 121202820
(2R)-2-chloro-1-[(4S)-4-(hydroxymethyl)-2-azaspiro[4.4]nonan-2-yl]propan-1-one
CID 129499354
[(4S)-2-benzyl-2,8-diazaspiro[4.5]decan-4-yl]methanol
CID 99728174
[(2R)-spiro[2.5]octan-2-yl]methanol
CID 129372228
(8-benzyl-8-azaspiro[4.5]decan-10-yl)methanol
CID 22495756
2-[(4R)-4-(ethoxymethyl)-2-azaspiro[4.5]decan-2-yl]ethanol
CID 129497219
[2-benzyl-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(furan-2-yl)methanone
CID 91924984

Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-4-(hydroxymethyl)-2-azaspiro[4.5]decan-2-yl]acetic acid?
The IUPAC name of 2-[(4S)-4-(hydroxymethyl)-2-azaspiro[4.5]decan-2-yl]acetic acid (CID 129495518) is 2-[(4S)-4-(hydroxymethyl)-2-azaspiro[4.5]decan-2-yl]acetic acid.
What is the SMILES notation for 2-[(4S)-4-(hydroxymethyl)-2-azaspiro[4.5]decan-2-yl]acetic acid?
The canonical SMILES for 2-[(4S)-4-(hydroxymethyl)-2-azaspiro[4.5]decan-2-yl]acetic acid is O=C(O)CN1C[C@@H](CO)C2(CCCCC2)C1.
What is the InChIKey of 2-[(4S)-4-(hydroxymethyl)-2-azaspiro[4.5]decan-2-yl]acetic acid?
The InChIKey is BLXYLNAWEVMJEI-JTQLQIEISA-N. The full InChI is InChI=1S/C12H21NO3/c14-8-10-6-13(7-11(15)16)9-12(10)4-2-1-3-5-12/h10,14H,1-9H2,(H,15,16)/t10-/m0/s1.
What are the key properties of 2-[(4S)-4-(hydroxymethyl)-2-azaspiro[4.5]decan-2-yl]acetic acid?
2-[(4S)-4-(hydroxymethyl)-2-azaspiro[4.5]decan-2-yl]acetic acid has a molecular weight of 227.30 g/mol, XLogP of 0.95, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-4-(hydroxymethyl)-2-azaspiro[4.5]decan-2-yl]acetic acid is sourced from PubChem (CID 129495518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).