2-[(4S)-9-(propan-2-ylcarbamoyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetic acid

C15H26N2O4 — CID 99728106

IUPAC2-[(4S)-9-(propan-2-ylcarbamoyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetic acid
SMILESCC(C)NC(=O)N1CCC2(CC1)C[C@@H](CC(=O)O)CCO2
InChIInChI=1S/C15H26N2O4/c1-11(2)16-14(20)17-6-4-15(5-7-17)10-12(3-8-21-15)9-13(18)19/h11-12H,3-10H2,1-2H3,(H,16,20)(H,18,19)/t12-/m1/s1
InChIKeySJJQBLHBOOJJAF-GFCCVEGCSA-N
MW298.38 g/mol
LogP1.84
Rot. Bonds3

About 2-[(4S)-9-(propan-2-ylcarbamoyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetic acid

2-[(4S)-9-(propan-2-ylcarbamoyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetic acid (PubChem CID 99728106) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is 2-[(4S)-9-(propan-2-ylcarbamoyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetic acid.

Molecular Properties

Compound Name2-[(4S)-9-(propan-2-ylcarbamoyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetic acid
PubChem CID99728106
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name2-[(4S)-9-(propan-2-ylcarbamoyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetic acid
SMILESCC(C)NC(=O)N1CCC2(CC1)C[C@@H](CC(=O)O)CCO2
InChIInChI=1S/C15H26N2O4/c1-11(2)16-14(20)17-6-4-15(5-7-17)10-12(3-8-21-15)9-13(18)19/h11-12H,3-10H2,1-2H3,(H,16,20)(H,18,19)/t12-/m1/s1
InChIKeySJJQBLHBOOJJAF-GFCCVEGCSA-N
XLogP1.84
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[(4S)-9-(propan-2-ylcarbamoyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetic acid with MolForge

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Related Compounds

2-(9-acetyl-1-oxa-9-azaspiro[5.5]undecan-4-yl)acetic acid
CID 90488086
2-(1,9-dioxaspiro[5.5]undecan-4-yl)acetic acid
CID 79899396
N-propan-2-yl-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
CID 47236079
3-methyl-1-(6-oxaspiro[4.5]decan-9-yl)butan-2-one
CID 79894570
N-propan-2-yl-1-oxa-7-azaspiro[4.4]nonane-7-carboxamide
CID 118739092
4-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-propan-2-yl-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide
CID 91919151
3-methyl-1-(5-oxaspiro[3.5]nonan-8-ylmethylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 122016332
1-(1-oxaspiro[5.5]undecan-4-yl)propan-2-one
CID 79894719
2-[1-(1-oxaspiro[5.5]undecan-4-yl)piperidin-4-yl]acetic acid
CID 79902227
2-[1-(1-oxaspiro[5.5]undecan-4-yl)azetidin-3-yl]acetic acid
CID 79894445
2-methyl-N-(6-oxaspiro[4.5]decan-9-ylmethyl)propan-1-amine
CID 79914861
3,3-dimethyl-1-(5-oxaspiro[3.5]nonan-8-yl)butan-2-one
CID 79894030

Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-9-(propan-2-ylcarbamoyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetic acid?
The IUPAC name of 2-[(4S)-9-(propan-2-ylcarbamoyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetic acid (CID 99728106) is 2-[(4S)-9-(propan-2-ylcarbamoyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetic acid.
What is the SMILES notation for 2-[(4S)-9-(propan-2-ylcarbamoyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetic acid?
The canonical SMILES for 2-[(4S)-9-(propan-2-ylcarbamoyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetic acid is CC(C)NC(=O)N1CCC2(CC1)C[C@@H](CC(=O)O)CCO2.
What is the InChIKey of 2-[(4S)-9-(propan-2-ylcarbamoyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetic acid?
The InChIKey is SJJQBLHBOOJJAF-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H26N2O4/c1-11(2)16-14(20)17-6-4-15(5-7-17)10-12(3-8-21-15)9-13(18)19/h11-12H,3-10H2,1-2H3,(H,16,20)(H,18,19)/t12-/m1/s1.
What are the key properties of 2-[(4S)-9-(propan-2-ylcarbamoyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetic acid?
2-[(4S)-9-(propan-2-ylcarbamoyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetic acid has a molecular weight of 298.38 g/mol, XLogP of 1.84, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-9-(propan-2-ylcarbamoyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetic acid is sourced from PubChem (CID 99728106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).