2-aminoacetic acid;4-methylheptane

C10H23NO2 — CID 143106228

IUPAC2-aminoacetic acid;4-methylheptane
SMILESCCCC(C)CCC.NCC(=O)O
InChIInChI=1S/C8H18.C2H5NO2/c1-4-6-8(3)7-5-2;3-1-2(4)5/h8H,4-7H2,1-3H3;1,3H2,(H,4,5)
InChIKeyRPYHGOXGAZSTFT-UHFFFAOYSA-N
MW189.30 g/mol
LogP2.25
Rot. Bonds5

About 2-aminoacetic acid;4-methylheptane

2-aminoacetic acid;4-methylheptane (PubChem CID 143106228) has the molecular formula C10H23NO2 and a molecular weight of 189.30 g/mol. Its IUPAC name is 2-aminoacetic acid;4-methylheptane.

Molecular Properties

Compound Name2-aminoacetic acid;4-methylheptane
PubChem CID143106228
Molecular FormulaC10H23NO2
Molecular Weight189.30 g/mol
Exact Mass189.17
IUPAC Name2-aminoacetic acid;4-methylheptane
SMILESCCCC(C)CCC.NCC(=O)O
InChIInChI=1S/C8H18.C2H5NO2/c1-4-6-8(3)7-5-2;3-1-2(4)5/h8H,4-7H2,1-3H3;1,3H2,(H,4,5)
InChIKeyRPYHGOXGAZSTFT-UHFFFAOYSA-N
XLogP2.25
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4,8-dimethylundecanoic acid
CID 25230729
2-aminoacetic acid;ethanamine
CID 162171079
4-methylheptane
CID 91413347
4-methylheptane
CID 11512
(3S,5S)-3-(aminomethyl)-5-methyloctanoic acid
CID 57024808
(3S,5R)-3,5-dimethyloctanoic acid
CID 175942531
bis(3-methylhexyl) carbonate
CID 19017004
4-methylheptane;propane
CID 142171269
bis(2-aminoacetic acid);butanoic acid
CID 174823541
(3S,5R)-3-amino-5-methyloctanoic acid;hydrochloride
CID 11701275
2-methylpentyl carbonofluoridate
CID 175528242
15-methyl-3,7,11-tripropyloctadecanoic acid
CID 175258437

Frequently Asked Questions

What is the IUPAC name of 2-aminoacetic acid;4-methylheptane?
The IUPAC name of 2-aminoacetic acid;4-methylheptane (CID 143106228) is 2-aminoacetic acid;4-methylheptane.
What is the SMILES notation for 2-aminoacetic acid;4-methylheptane?
The canonical SMILES for 2-aminoacetic acid;4-methylheptane is CCCC(C)CCC.NCC(=O)O.
What is the InChIKey of 2-aminoacetic acid;4-methylheptane?
The InChIKey is RPYHGOXGAZSTFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18.C2H5NO2/c1-4-6-8(3)7-5-2;3-1-2(4)5/h8H,4-7H2,1-3H3;1,3H2,(H,4,5).
What are the key properties of 2-aminoacetic acid;4-methylheptane?
2-aminoacetic acid;4-methylheptane has a molecular weight of 189.30 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoacetic acid;4-methylheptane is sourced from PubChem (CID 143106228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).