(2R)-2-[(5R,9S)-9-hydroxy-6-oxa-2-azaspiro[4.5]decan-2-yl]butanoic acid

C12H21NO4 — CID 129498148

IUPAC(2R)-2-[(5R,9S)-9-hydroxy-6-oxa-2-azaspiro[4.5]decan-2-yl]butanoic acid
SMILESCCC(C(=O)O)N1CC[C@@]2(C[C@@H](O)CCO2)C1
InChIInChI=1S/C12H21NO4/c1-2-10(11(15)16)13-5-4-12(8-13)7-9(14)3-6-17-12/h9-10,14H,2-8H2,1H3,(H,15,16)/t9-,10?,12+/m0/s1
InChIKeyHSAYEQYSGYSONE-VXFCFVAISA-N
MW243.30 g/mol
LogP0.47
Rot. Bonds3

About (2R)-2-[(5R,9S)-9-hydroxy-6-oxa-2-azaspiro[4.5]decan-2-yl]butanoic acid

(2R)-2-[(5R,9S)-9-hydroxy-6-oxa-2-azaspiro[4.5]decan-2-yl]butanoic acid (PubChem CID 129498148) has the molecular formula C12H21NO4 and a molecular weight of 243.30 g/mol. Its IUPAC name is (2R)-2-[(5R,9S)-9-hydroxy-6-oxa-2-azaspiro[4.5]decan-2-yl]butanoic acid.

Molecular Properties

Compound Name(2R)-2-[(5R,9S)-9-hydroxy-6-oxa-2-azaspiro[4.5]decan-2-yl]butanoic acid
PubChem CID129498148
Molecular FormulaC12H21NO4
Molecular Weight243.30 g/mol
Exact Mass243.15
IUPAC Name(2R)-2-[(5R,9S)-9-hydroxy-6-oxa-2-azaspiro[4.5]decan-2-yl]butanoic acid
SMILESCCC(C(=O)O)N1CC[C@@]2(C[C@@H](O)CCO2)C1
InChIInChI=1S/C12H21NO4/c1-2-10(11(15)16)13-5-4-12(8-13)7-9(14)3-6-17-12/h9-10,14H,2-8H2,1H3,(H,15,16)/t9-,10?,12+/m0/s1
InChIKeyHSAYEQYSGYSONE-VXFCFVAISA-N
XLogP0.47
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R)-2-[(5R,9S)-9-hydroxy-6-oxa-2-azaspiro[4.5]decan-2-yl]butanoic acid with MolForge

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Related Compounds

(2S)-2-chloro-1-[(5R,9S)-9-hydroxy-6-oxa-2-azaspiro[4.5]decan-2-yl]propan-1-one
CID 129498595
2-chloro-1-(9-hydroxy-6-oxa-2-azaspiro[4.5]decan-2-yl)ethanone
CID 121203773
(2S)-2-amino-1-[(4S,6S)-4-hydroxy-1-oxa-8-azaspiro[5.5]undecan-8-yl]propan-1-one
CID 129495873
2-(2-hydroxyethyl)-6-oxa-2-azaspiro[4.5]decan-9-ol
CID 121203771
2-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]butanoic acid
CID 121203240
(2S)-2-[(3S)-3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]butanoic acid
CID 129429634
1-(4-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-4-methylpentan-1-one
CID 110203435
9-amino-1-oxa-9-azaspiro[5.5]undecan-4-ol
CID 121202469
N'-hydroxy-2-(9-hydroxy-6-oxa-2-azaspiro[4.5]decan-2-yl)ethanimidamide
CID 121203782
N-(5-ethyl-1,2-oxazol-3-yl)-4-hydroxy-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide
CID 138027801
2-[4-(fluoromethyl)-4-methylpiperidin-1-yl]butanoic acid
CID 121203157
2-(6-oxa-2-azaspiro[4.5]decan-2-yl)propanoic acid
CID 121202316

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(5R,9S)-9-hydroxy-6-oxa-2-azaspiro[4.5]decan-2-yl]butanoic acid?
The IUPAC name of (2R)-2-[(5R,9S)-9-hydroxy-6-oxa-2-azaspiro[4.5]decan-2-yl]butanoic acid (CID 129498148) is (2R)-2-[(5R,9S)-9-hydroxy-6-oxa-2-azaspiro[4.5]decan-2-yl]butanoic acid.
What is the SMILES notation for (2R)-2-[(5R,9S)-9-hydroxy-6-oxa-2-azaspiro[4.5]decan-2-yl]butanoic acid?
The canonical SMILES for (2R)-2-[(5R,9S)-9-hydroxy-6-oxa-2-azaspiro[4.5]decan-2-yl]butanoic acid is CCC(C(=O)O)N1CC[C@@]2(C[C@@H](O)CCO2)C1.
What is the InChIKey of (2R)-2-[(5R,9S)-9-hydroxy-6-oxa-2-azaspiro[4.5]decan-2-yl]butanoic acid?
The InChIKey is HSAYEQYSGYSONE-VXFCFVAISA-N. The full InChI is InChI=1S/C12H21NO4/c1-2-10(11(15)16)13-5-4-12(8-13)7-9(14)3-6-17-12/h9-10,14H,2-8H2,1H3,(H,15,16)/t9-,10?,12+/m0/s1.
What are the key properties of (2R)-2-[(5R,9S)-9-hydroxy-6-oxa-2-azaspiro[4.5]decan-2-yl]butanoic acid?
(2R)-2-[(5R,9S)-9-hydroxy-6-oxa-2-azaspiro[4.5]decan-2-yl]butanoic acid has a molecular weight of 243.30 g/mol, XLogP of 0.47, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(5R,9S)-9-hydroxy-6-oxa-2-azaspiro[4.5]decan-2-yl]butanoic acid is sourced from PubChem (CID 129498148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).