2-[cyclopropyl(6-oxaspiro[4.5]decan-9-yl)amino]acetic acid

C14H23NO3 — CID 79894047

IUPAC2-[cyclopropyl(6-oxaspiro[4.5]decan-9-yl)amino]acetic acid
SMILESO=C(O)CN(C1CC1)C1CCOC2(CCCC2)C1
InChIInChI=1S/C14H23NO3/c16-13(17)10-15(11-3-4-11)12-5-8-18-14(9-12)6-1-2-7-14/h11-12H,1-10H2,(H,16,17)
InChIKeyKBWSIBRFAQKLHD-UHFFFAOYSA-N
MW253.34 g/mol
LogP2.03
Rot. Bonds4

About 2-[cyclopropyl(6-oxaspiro[4.5]decan-9-yl)amino]acetic acid

2-[cyclopropyl(6-oxaspiro[4.5]decan-9-yl)amino]acetic acid (PubChem CID 79894047) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 2-[cyclopropyl(6-oxaspiro[4.5]decan-9-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropyl(6-oxaspiro[4.5]decan-9-yl)amino]acetic acid
PubChem CID79894047
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name2-[cyclopropyl(6-oxaspiro[4.5]decan-9-yl)amino]acetic acid
SMILESO=C(O)CN(C1CC1)C1CCOC2(CCCC2)C1
InChIInChI=1S/C14H23NO3/c16-13(17)10-15(11-3-4-11)12-5-8-18-14(9-12)6-1-2-7-14/h11-12H,1-10H2,(H,16,17)
InChIKeyKBWSIBRFAQKLHD-UHFFFAOYSA-N
XLogP2.03
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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-[carboxymethyl(1-oxaspiro[5.5]undecan-4-yl)amino]acetic acid
CID 79894522
3-[cyclopropyl(5-oxaspiro[3.5]nonan-8-yl)amino]propanoic acid
CID 79894193
2-[carboxymethyl(5-oxaspiro[3.5]nonan-8-yl)amino]acetic acid
CID 79893758
2-[cyclopropylmethyl(6-oxaspiro[4.5]decan-9-yl)amino]acetic acid
CID 79894349
2-[methyl(5-oxaspiro[3.5]nonan-8-yl)amino]acetic acid
CID 79894267
2-[(2-amino-2-oxoethyl)-(1-oxaspiro[5.5]undecan-4-yl)amino]acetic acid
CID 107440798
2-[butan-2-yl(6-oxaspiro[4.5]decan-9-yl)amino]acetic acid
CID 79894511
2-[cyclopropyl-(2-ethyl-2-methyloxan-4-yl)amino]acetic acid
CID 65057470
2-[5-oxaspiro[3.5]nonan-8-yl(propyl)amino]acetic acid
CID 79894587
3-[tert-butyl(6-oxaspiro[4.5]decan-9-yl)amino]propanoic acid
CID 79893598
2-[cyclopropyl(1,4-dioxaspiro[4.5]decan-8-yl)amino]acetic acid
CID 65058158
3-[tert-butyl(1-oxaspiro[5.5]undecan-4-yl)amino]propanoic acid
CID 79901108

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(6-oxaspiro[4.5]decan-9-yl)amino]acetic acid?
The IUPAC name of 2-[cyclopropyl(6-oxaspiro[4.5]decan-9-yl)amino]acetic acid (CID 79894047) is 2-[cyclopropyl(6-oxaspiro[4.5]decan-9-yl)amino]acetic acid.
What is the SMILES notation for 2-[cyclopropyl(6-oxaspiro[4.5]decan-9-yl)amino]acetic acid?
The canonical SMILES for 2-[cyclopropyl(6-oxaspiro[4.5]decan-9-yl)amino]acetic acid is O=C(O)CN(C1CC1)C1CCOC2(CCCC2)C1.
What is the InChIKey of 2-[cyclopropyl(6-oxaspiro[4.5]decan-9-yl)amino]acetic acid?
The InChIKey is KBWSIBRFAQKLHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c16-13(17)10-15(11-3-4-11)12-5-8-18-14(9-12)6-1-2-7-14/h11-12H,1-10H2,(H,16,17).
What are the key properties of 2-[cyclopropyl(6-oxaspiro[4.5]decan-9-yl)amino]acetic acid?
2-[cyclopropyl(6-oxaspiro[4.5]decan-9-yl)amino]acetic acid has a molecular weight of 253.34 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(6-oxaspiro[4.5]decan-9-yl)amino]acetic acid is sourced from PubChem (CID 79894047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).