2-[methyl(spiro[2.4]heptane-2-carbonyl)amino]propanoic acid

C12H19NO3 — CID 119209159

IUPAC2-[methyl(spiro[2.4]heptane-2-carbonyl)amino]propanoic acid
SMILESCC(C(=O)O)N(C)C(=O)C1CC12CCCC2
InChIInChI=1S/C12H19NO3/c1-8(11(15)16)13(2)10(14)9-7-12(9)5-3-4-6-12/h8-9H,3-7H2,1-2H3,(H,15,16)
InChIKeyLLVYIBWCIRPNAL-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.50
Rot. Bonds3

About 2-[methyl(spiro[2.4]heptane-2-carbonyl)amino]propanoic acid

2-[methyl(spiro[2.4]heptane-2-carbonyl)amino]propanoic acid (PubChem CID 119209159) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is 2-[methyl(spiro[2.4]heptane-2-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-[methyl(spiro[2.4]heptane-2-carbonyl)amino]propanoic acid
PubChem CID119209159
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name2-[methyl(spiro[2.4]heptane-2-carbonyl)amino]propanoic acid
SMILESCC(C(=O)O)N(C)C(=O)C1CC12CCCC2
InChIInChI=1S/C12H19NO3/c1-8(11(15)16)13(2)10(14)9-7-12(9)5-3-4-6-12/h8-9H,3-7H2,1-2H3,(H,15,16)
InChIKeyLLVYIBWCIRPNAL-UHFFFAOYSA-N
XLogP1.50
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[butan-2-yl(spiro[2.4]heptane-2-carbonyl)amino]acetic acid
CID 119955004
N-methyl-N-[1-(2-propylpentanoylamino)propan-2-yl]spiro[2.4]heptane-2-carboxamide
CID 166297319
2-[methyl(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carbonyl)amino]propanoic acid
CID 119359115
2-[(1-aminocyclobutanecarbonyl)-methylamino]propanoic acid
CID 81169408
N-methoxy-N-methylspiro[2.3]hexane-2-carboxamide
CID 130725563
2-[[2-(1-aminocyclopentyl)acetyl]-methylamino]propanoic acid
CID 64678457
(2R)-spiro[2.5]octane-2-carboxylic acid
CID 10419388
N-(3-amino-3-oxopropyl)-N-methylspiro[2.4]heptane-2-carboxamide
CID 146087450
(2S)-2-[[1-(2-chloroacetyl)azetidine-3-carbonyl]-methylamino]propanoic acid
CID 150176701
3-methyl-2-(spiro[2.4]heptane-2-carbonylamino)pentanoic acid
CID 119211845
2-[methyl(spiro[4.5]decan-8-yl)amino]propanoic acid
CID 114820671
methyl spiro[2.6]nonane-2-carboxylate
CID 144510342

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(spiro[2.4]heptane-2-carbonyl)amino]propanoic acid?
The IUPAC name of 2-[methyl(spiro[2.4]heptane-2-carbonyl)amino]propanoic acid (CID 119209159) is 2-[methyl(spiro[2.4]heptane-2-carbonyl)amino]propanoic acid.
What is the SMILES notation for 2-[methyl(spiro[2.4]heptane-2-carbonyl)amino]propanoic acid?
The canonical SMILES for 2-[methyl(spiro[2.4]heptane-2-carbonyl)amino]propanoic acid is CC(C(=O)O)N(C)C(=O)C1CC12CCCC2.
What is the InChIKey of 2-[methyl(spiro[2.4]heptane-2-carbonyl)amino]propanoic acid?
The InChIKey is LLVYIBWCIRPNAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c1-8(11(15)16)13(2)10(14)9-7-12(9)5-3-4-6-12/h8-9H,3-7H2,1-2H3,(H,15,16).
What are the key properties of 2-[methyl(spiro[2.4]heptane-2-carbonyl)amino]propanoic acid?
2-[methyl(spiro[2.4]heptane-2-carbonyl)amino]propanoic acid has a molecular weight of 225.29 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(spiro[2.4]heptane-2-carbonyl)amino]propanoic acid is sourced from PubChem (CID 119209159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).