2-aminoacetic acid;(2S)-2-amino-2-cyclopentylacetic acid

C9H18N2O4 — CID 157474717

IUPAC2-aminoacetic acid;(2S)-2-amino-2-cyclopentylacetic acid
SMILESNCC(=O)O.N[C@H](C(=O)O)C1CCCC1
InChIInChI=1S/C7H13NO2.C2H5NO2/c8-6(7(9)10)5-3-1-2-4-5;3-1-2(4)5/h5-6H,1-4,8H2,(H,9,10);1,3H2,(H,4,5)/t6-;/m0./s1
InChIKeyBVLMCWWFNQCIBK-RGMNGODLSA-N
MW218.25 g/mol
LogP-0.38
Rot. Bonds3

About 2-aminoacetic acid;(2S)-2-amino-2-cyclopentylacetic acid

2-aminoacetic acid;(2S)-2-amino-2-cyclopentylacetic acid (PubChem CID 157474717) has the molecular formula C9H18N2O4 and a molecular weight of 218.25 g/mol. Its IUPAC name is 2-aminoacetic acid;(2S)-2-amino-2-cyclopentylacetic acid.

Molecular Properties

Compound Name2-aminoacetic acid;(2S)-2-amino-2-cyclopentylacetic acid
PubChem CID157474717
Molecular FormulaC9H18N2O4
Molecular Weight218.25 g/mol
Exact Mass218.13
IUPAC Name2-aminoacetic acid;(2S)-2-amino-2-cyclopentylacetic acid
SMILESNCC(=O)O.N[C@H](C(=O)O)C1CCCC1
InChIInChI=1S/C7H13NO2.C2H5NO2/c8-6(7(9)10)5-3-1-2-4-5;3-1-2(4)5/h5-6H,1-4,8H2,(H,9,10);1,3H2,(H,4,5)/t6-;/m0./s1
InChIKeyBVLMCWWFNQCIBK-RGMNGODLSA-N
XLogP-0.38
TPSA126.64 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 5-0.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3-cyclopentyl-3-sulfanylpropanoic acid
CID 23653013
2-amino-2-(1-ethylazepan-4-yl)acetic acid
CID 84669559
(2S)-2-amino-2-(4-methylcyclohexyl)acetic acid
CID 57462435
(2S)-2-amino-2-(oxan-3-yl)acetic acid
CID 107134850
1-amino-1-cycloheptylpropan-2-one
CID 54549167
(1S)-1-amino-1-cyclohexylpropan-2-one
CID 59946338
4-amino-3-cyclopentylbutanoic acid
CID 10130168
lithium;(3S)-3-amino-3-cyclohexylpropanoic acid;hydride
CID 174434398
(3R)-4-amino-3-cyclohexylbutanoic acid
CID 8000611
(2S)-2-amino-2-cyclohexyl-1-cyclopropylethanone
CID 88971948
2-aminoacetic acid;cerium;cyclohexanecarboxylic acid
CID 171776246
(1S)-1-amino-1-cyclopentyl-3-methylbutan-2-one
CID 126487606

Frequently Asked Questions

What is the IUPAC name of 2-aminoacetic acid;(2S)-2-amino-2-cyclopentylacetic acid?
The IUPAC name of 2-aminoacetic acid;(2S)-2-amino-2-cyclopentylacetic acid (CID 157474717) is 2-aminoacetic acid;(2S)-2-amino-2-cyclopentylacetic acid.
What is the SMILES notation for 2-aminoacetic acid;(2S)-2-amino-2-cyclopentylacetic acid?
The canonical SMILES for 2-aminoacetic acid;(2S)-2-amino-2-cyclopentylacetic acid is NCC(=O)O.N[C@H](C(=O)O)C1CCCC1.
What is the InChIKey of 2-aminoacetic acid;(2S)-2-amino-2-cyclopentylacetic acid?
The InChIKey is BVLMCWWFNQCIBK-RGMNGODLSA-N. The full InChI is InChI=1S/C7H13NO2.C2H5NO2/c8-6(7(9)10)5-3-1-2-4-5;3-1-2(4)5/h5-6H,1-4,8H2,(H,9,10);1,3H2,(H,4,5)/t6-;/m0./s1.
What are the key properties of 2-aminoacetic acid;(2S)-2-amino-2-cyclopentylacetic acid?
2-aminoacetic acid;(2S)-2-amino-2-cyclopentylacetic acid has a molecular weight of 218.25 g/mol, XLogP of -0.38, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoacetic acid;(2S)-2-amino-2-cyclopentylacetic acid is sourced from PubChem (CID 157474717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).