2-[2-(dimethylamino)ethyl-[(2S)-spiro[2.2]pentane-2-carbonyl]amino]acetic acid

C12H20N2O3 — CID 126431608

IUPAC2-[2-(dimethylamino)ethyl-[(2S)-spiro[2.2]pentane-2-carbonyl]amino]acetic acid
SMILESCN(C)CCN(CC(=O)O)C(=O)[C@H]1CC12CC2
InChIInChI=1S/C12H20N2O3/c1-13(2)5-6-14(8-10(15)16)11(17)9-7-12(9)3-4-12/h9H,3-8H2,1-2H3,(H,15,16)/t9-/m1/s1
InChIKeyUEDNKUWTTAHKCG-SECBINFHSA-N
MW240.30 g/mol
LogP0.26
Rot. Bonds6

About 2-[2-(dimethylamino)ethyl-[(2S)-spiro[2.2]pentane-2-carbonyl]amino]acetic acid

2-[2-(dimethylamino)ethyl-[(2S)-spiro[2.2]pentane-2-carbonyl]amino]acetic acid (PubChem CID 126431608) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethyl-[(2S)-spiro[2.2]pentane-2-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethyl-[(2S)-spiro[2.2]pentane-2-carbonyl]amino]acetic acid
PubChem CID126431608
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name2-[2-(dimethylamino)ethyl-[(2S)-spiro[2.2]pentane-2-carbonyl]amino]acetic acid
SMILESCN(C)CCN(CC(=O)O)C(=O)[C@H]1CC12CC2
InChIInChI=1S/C12H20N2O3/c1-13(2)5-6-14(8-10(15)16)11(17)9-7-12(9)3-4-12/h9H,3-8H2,1-2H3,(H,15,16)/t9-/m1/s1
InChIKeyUEDNKUWTTAHKCG-SECBINFHSA-N
XLogP0.26
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-cyclopropylcyclopropanecarbonyl)-[2-(dimethylamino)ethyl]amino]acetic acid
CID 119346792
2-[(6,6-dioxo-6λ6-thiaspiro[2.5]octane-2-carbonyl)-(2-phenylethyl)amino]acetic acid
CID 120690016
2-[2-(dimethylamino)ethyl-[3-(dimethylamino)propanoyl]amino]acetic acid
CID 107423497
2-[butan-2-yl(spiro[2.4]heptane-2-carbonyl)amino]acetic acid
CID 119955004
2-[2-(dimethylamino)ethyl-(2-methylpropanoyl)amino]acetic acid
CID 103802734
2-[(2,2-dichlorocyclopropanecarbonyl)-(2-methoxyethyl)amino]acetic acid
CID 115596423
2-[butanoyl-[2-(dimethylamino)ethyl]amino]acetic acid
CID 103802903
2-(diethylcarbamoyl)-1-propan-2-ylcyclopropane-1-carboxylic acid
CID 165465530
2-[2-(dimethylamino)ethyl-[(2R,3R)-3-methyl-2,3-dihydro-1-benzofuran-2-carbonyl]amino]acetic acid
CID 124696109
2-[[(3S)-2,3-dihydro-1-benzofuran-3-carbonyl]-[2-(dimethylamino)ethyl]amino]acetic acid
CID 124677193
2-[2-(dimethylamino)ethyl-(2,4,4-trimethylcyclohexyl)amino]acetic acid
CID 107426101
2-[(1-carbamoylpiperidine-3-carbonyl)-[2-(dimethylamino)ethyl]amino]acetic acid
CID 103802821

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethyl-[(2S)-spiro[2.2]pentane-2-carbonyl]amino]acetic acid?
The IUPAC name of 2-[2-(dimethylamino)ethyl-[(2S)-spiro[2.2]pentane-2-carbonyl]amino]acetic acid (CID 126431608) is 2-[2-(dimethylamino)ethyl-[(2S)-spiro[2.2]pentane-2-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[2-(dimethylamino)ethyl-[(2S)-spiro[2.2]pentane-2-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[2-(dimethylamino)ethyl-[(2S)-spiro[2.2]pentane-2-carbonyl]amino]acetic acid is CN(C)CCN(CC(=O)O)C(=O)[C@H]1CC12CC2.
What is the InChIKey of 2-[2-(dimethylamino)ethyl-[(2S)-spiro[2.2]pentane-2-carbonyl]amino]acetic acid?
The InChIKey is UEDNKUWTTAHKCG-SECBINFHSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-13(2)5-6-14(8-10(15)16)11(17)9-7-12(9)3-4-12/h9H,3-8H2,1-2H3,(H,15,16)/t9-/m1/s1.
What are the key properties of 2-[2-(dimethylamino)ethyl-[(2S)-spiro[2.2]pentane-2-carbonyl]amino]acetic acid?
2-[2-(dimethylamino)ethyl-[(2S)-spiro[2.2]pentane-2-carbonyl]amino]acetic acid has a molecular weight of 240.30 g/mol, XLogP of 0.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethyl-[(2S)-spiro[2.2]pentane-2-carbonyl]amino]acetic acid is sourced from PubChem (CID 126431608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).