3-[cyclopropyl(5-oxaspiro[3.5]nonan-8-yl)amino]propanoic acid

C14H23NO3 — CID 79894193

IUPAC3-[cyclopropyl(5-oxaspiro[3.5]nonan-8-yl)amino]propanoic acid
SMILESO=C(O)CCN(C1CC1)C1CCOC2(CCC2)C1
InChIInChI=1S/C14H23NO3/c16-13(17)4-8-15(11-2-3-11)12-5-9-18-14(10-12)6-1-7-14/h11-12H,1-10H2,(H,16,17)
InChIKeyIMCAAAWLAMSLLU-UHFFFAOYSA-N
MW253.34 g/mol
LogP2.03
Rot. Bonds5

About 3-[cyclopropyl(5-oxaspiro[3.5]nonan-8-yl)amino]propanoic acid

3-[cyclopropyl(5-oxaspiro[3.5]nonan-8-yl)amino]propanoic acid (PubChem CID 79894193) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 3-[cyclopropyl(5-oxaspiro[3.5]nonan-8-yl)amino]propanoic acid.

Molecular Properties

Compound Name3-[cyclopropyl(5-oxaspiro[3.5]nonan-8-yl)amino]propanoic acid
PubChem CID79894193
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name3-[cyclopropyl(5-oxaspiro[3.5]nonan-8-yl)amino]propanoic acid
SMILESO=C(O)CCN(C1CC1)C1CCOC2(CCC2)C1
InChIInChI=1S/C14H23NO3/c16-13(17)4-8-15(11-2-3-11)12-5-9-18-14(10-12)6-1-7-14/h11-12H,1-10H2,(H,16,17)
InChIKeyIMCAAAWLAMSLLU-UHFFFAOYSA-N
XLogP2.03
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclopropyl(6-oxaspiro[4.5]decan-9-yl)amino]acetic acid
CID 79894047
3-[tert-butyl(6-oxaspiro[4.5]decan-9-yl)amino]propanoic acid
CID 79893598
2-[carboxymethyl(5-oxaspiro[3.5]nonan-8-yl)amino]acetic acid
CID 79893758
3-[cyclopropyl(6-oxaspiro[4.5]decan-9-yl)amino]propanimidamide
CID 79906210
3-[tert-butyl(1-oxaspiro[5.5]undecan-4-yl)amino]propanoic acid
CID 79901108
2-[methyl(5-oxaspiro[3.5]nonan-8-yl)amino]acetic acid
CID 79894267
2-[5-oxaspiro[3.5]nonan-8-yl(propyl)amino]acetic acid
CID 79894587
2-[carboxymethyl(1-oxaspiro[5.5]undecan-4-yl)amino]acetic acid
CID 79894522
3-[cyclopropyl(1,9-dioxaspiro[5.5]undecan-4-yl)amino]-N'-hydroxypropanimidamide
CID 79902210
3-[cyclobutyl(1,9-dioxaspiro[5.5]undecan-4-yl)amino]propan-1-ol
CID 102858387
N'-cyclopentyl-N'-(1-oxaspiro[5.5]undecan-4-yl)propane-1,3-diamine
CID 79901023
2-[cyclopropylmethyl(6-oxaspiro[4.5]decan-9-yl)amino]acetic acid
CID 79894349

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl(5-oxaspiro[3.5]nonan-8-yl)amino]propanoic acid?
The IUPAC name of 3-[cyclopropyl(5-oxaspiro[3.5]nonan-8-yl)amino]propanoic acid (CID 79894193) is 3-[cyclopropyl(5-oxaspiro[3.5]nonan-8-yl)amino]propanoic acid.
What is the SMILES notation for 3-[cyclopropyl(5-oxaspiro[3.5]nonan-8-yl)amino]propanoic acid?
The canonical SMILES for 3-[cyclopropyl(5-oxaspiro[3.5]nonan-8-yl)amino]propanoic acid is O=C(O)CCN(C1CC1)C1CCOC2(CCC2)C1.
What is the InChIKey of 3-[cyclopropyl(5-oxaspiro[3.5]nonan-8-yl)amino]propanoic acid?
The InChIKey is IMCAAAWLAMSLLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c16-13(17)4-8-15(11-2-3-11)12-5-9-18-14(10-12)6-1-7-14/h11-12H,1-10H2,(H,16,17).
What are the key properties of 3-[cyclopropyl(5-oxaspiro[3.5]nonan-8-yl)amino]propanoic acid?
3-[cyclopropyl(5-oxaspiro[3.5]nonan-8-yl)amino]propanoic acid has a molecular weight of 253.34 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl(5-oxaspiro[3.5]nonan-8-yl)amino]propanoic acid is sourced from PubChem (CID 79894193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).