aminomethyl (2S)-2-aminopropanoate

C4H10N2O2 — CID 139681738

IUPACaminomethyl (2S)-2-aminopropanoate
SMILESC[C@H](N)C(=O)OCN
InChIInChI=1S/C4H10N2O2/c1-3(6)4(7)8-2-5/h3H,2,5-6H2,1H3/t3-/m0/s1
InChIKeyVZXUEMUFJDWONV-VKHMYHEASA-N
MW118.14 g/mol
LogP-1.21
Rot. Bonds2

About aminomethyl (2S)-2-aminopropanoate

aminomethyl (2S)-2-aminopropanoate (PubChem CID 139681738) has the molecular formula C4H10N2O2 and a molecular weight of 118.14 g/mol. Its IUPAC name is aminomethyl (2S)-2-aminopropanoate.

Molecular Properties

Compound Nameaminomethyl (2S)-2-aminopropanoate
PubChem CID139681738
Molecular FormulaC4H10N2O2
Molecular Weight118.14 g/mol
Exact Mass118.07
IUPAC Nameaminomethyl (2S)-2-aminopropanoate
SMILESC[C@H](N)C(=O)OCN
InChIInChI=1S/C4H10N2O2/c1-3(6)4(7)8-2-5/h3H,2,5-6H2,1H3/t3-/m0/s1
InChIKeyVZXUEMUFJDWONV-VKHMYHEASA-N
XLogP-1.21
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.14
LogP ≤ 5-1.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

ethyl (2R)-2-aminopropanoate;hydrochloride
CID 10236019
1,3-diaminobutan-2-one
CID 18683672
prop-2-enyl 2-aminopropanoate
CID 91515395
[(2S)-2-aminopropanoyl]oxymethyl 2-methylpropanoate
CID 155408739
ethyl (2S)-2-aminopropanoate;molecular hydrogen
CID 145195719
[(2R)-2-aminopropanoyl] (2R)-2-aminopropanoate
CID 54111393
2,2-dimethylpropyl (2R)-2-aminopropanoate
CID 86662579
methyl 2-aminopropanoate
CID 159707893
2,2,2-trichloroethyl (2S)-2-aminopropanoate
CID 10900160
sodium;hydride;2-hydroxyethyl (2S)-2-aminopropanoate
CID 174523367
1-aminopropan-2-yl (2S)-2-aminopropanoate;hydrobromide
CID 88792060
bis(2-aminopropanoyl) butanedioate
CID 90109701

Frequently Asked Questions

What is the IUPAC name of aminomethyl (2S)-2-aminopropanoate?
The IUPAC name of aminomethyl (2S)-2-aminopropanoate (CID 139681738) is aminomethyl (2S)-2-aminopropanoate.
What is the SMILES notation for aminomethyl (2S)-2-aminopropanoate?
The canonical SMILES for aminomethyl (2S)-2-aminopropanoate is C[C@H](N)C(=O)OCN.
What is the InChIKey of aminomethyl (2S)-2-aminopropanoate?
The InChIKey is VZXUEMUFJDWONV-VKHMYHEASA-N. The full InChI is InChI=1S/C4H10N2O2/c1-3(6)4(7)8-2-5/h3H,2,5-6H2,1H3/t3-/m0/s1.
What are the key properties of aminomethyl (2S)-2-aminopropanoate?
aminomethyl (2S)-2-aminopropanoate has a molecular weight of 118.14 g/mol, XLogP of -1.21, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for aminomethyl (2S)-2-aminopropanoate is sourced from PubChem (CID 139681738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).