3-(2-azaspiro[4.4]nonan-2-yl)-2-(cyclopropylamino)propanoic acid

C14H24N2O2 — CID 114279502

IUPAC3-(2-azaspiro[4.4]nonan-2-yl)-2-(cyclopropylamino)propanoic acid
SMILESO=C(O)C(CN1CCC2(CCCC2)C1)NC1CC1
InChIInChI=1S/C14H24N2O2/c17-13(18)12(15-11-3-4-11)9-16-8-7-14(10-16)5-1-2-6-14/h11-12,15H,1-10H2,(H,17,18)
InChIKeyOQGHYHLPWHALSU-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.46
Rot. Bonds5

About 3-(2-azaspiro[4.4]nonan-2-yl)-2-(cyclopropylamino)propanoic acid

3-(2-azaspiro[4.4]nonan-2-yl)-2-(cyclopropylamino)propanoic acid (PubChem CID 114279502) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 3-(2-azaspiro[4.4]nonan-2-yl)-2-(cyclopropylamino)propanoic acid.

Molecular Properties

Compound Name3-(2-azaspiro[4.4]nonan-2-yl)-2-(cyclopropylamino)propanoic acid
PubChem CID114279502
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name3-(2-azaspiro[4.4]nonan-2-yl)-2-(cyclopropylamino)propanoic acid
SMILESO=C(O)C(CN1CCC2(CCCC2)C1)NC1CC1
InChIInChI=1S/C14H24N2O2/c17-13(18)12(15-11-3-4-11)9-16-8-7-14(10-16)5-1-2-6-14/h11-12,15H,1-10H2,(H,17,18)
InChIKeyOQGHYHLPWHALSU-UHFFFAOYSA-N
XLogP1.46
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-(8-azaspiro[4.5]decan-8-yl)-2-(cyclopropylamino)propanoate
CID 63160319
3-(3-azaspiro[5.5]undecan-3-yl)-2-(cyclopropylamino)propanamide
CID 62931119
2-(cyclopropylamino)-3-(1,1-dioxo-1,4-thiazepan-4-yl)propanoic acid
CID 114083679
2-(cyclopropylamino)-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propanoic acid
CID 55159716
2-(cyclopropylamino)-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanoic acid
CID 66372148
2-(cyclopropylamino)-4-(4,4-dimethylpiperidin-1-yl)butanoic acid
CID 63055407
3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-(cyclopropylamino)propanoic acid
CID 79935240
ethyl 3-(2-azaspiro[4.4]nonan-2-yl)-2-(ethylamino)propanoate
CID 114279506
2-(cyclopropylamino)-3-[3-(dimethylamino)pyrrolidin-1-yl]propanoic acid
CID 63165297
methyl 2-(cyclopropylamino)-3-(4,4-dimethylpiperidin-1-yl)propanoate
CID 55155554
2-(cyclopropylamino)-3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propanoic acid
CID 79174738
4-(azepan-1-yl)-2-(cyclopropylamino)butanoic acid
CID 55145645

Frequently Asked Questions

What is the IUPAC name of 3-(2-azaspiro[4.4]nonan-2-yl)-2-(cyclopropylamino)propanoic acid?
The IUPAC name of 3-(2-azaspiro[4.4]nonan-2-yl)-2-(cyclopropylamino)propanoic acid (CID 114279502) is 3-(2-azaspiro[4.4]nonan-2-yl)-2-(cyclopropylamino)propanoic acid.
What is the SMILES notation for 3-(2-azaspiro[4.4]nonan-2-yl)-2-(cyclopropylamino)propanoic acid?
The canonical SMILES for 3-(2-azaspiro[4.4]nonan-2-yl)-2-(cyclopropylamino)propanoic acid is O=C(O)C(CN1CCC2(CCCC2)C1)NC1CC1.
What is the InChIKey of 3-(2-azaspiro[4.4]nonan-2-yl)-2-(cyclopropylamino)propanoic acid?
The InChIKey is OQGHYHLPWHALSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c17-13(18)12(15-11-3-4-11)9-16-8-7-14(10-16)5-1-2-6-14/h11-12,15H,1-10H2,(H,17,18).
What are the key properties of 3-(2-azaspiro[4.4]nonan-2-yl)-2-(cyclopropylamino)propanoic acid?
3-(2-azaspiro[4.4]nonan-2-yl)-2-(cyclopropylamino)propanoic acid has a molecular weight of 252.36 g/mol, XLogP of 1.46, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-azaspiro[4.4]nonan-2-yl)-2-(cyclopropylamino)propanoic acid is sourced from PubChem (CID 114279502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).