amino (2S)-2-(methylamino)propanoate

C4H10N2O2 — CID 23546966

IUPACamino (2S)-2-(methylamino)propanoate
SMILESCN[C@@H](C)C(=O)ON
InChIInChI=1S/C4H10N2O2/c1-3(6-2)4(7)8-5/h3,6H,5H2,1-2H3/t3-/m0/s1
InChIKeyUXLGFLNZSMFQQP-VKHMYHEASA-N
MW118.14 g/mol
LogP-0.99
Rot. Bonds2

About amino (2S)-2-(methylamino)propanoate

amino (2S)-2-(methylamino)propanoate (PubChem CID 23546966) has the molecular formula C4H10N2O2 and a molecular weight of 118.14 g/mol. Its IUPAC name is amino (2S)-2-(methylamino)propanoate.

Molecular Properties

Compound Nameamino (2S)-2-(methylamino)propanoate
PubChem CID23546966
Molecular FormulaC4H10N2O2
Molecular Weight118.14 g/mol
Exact Mass118.07
IUPAC Nameamino (2S)-2-(methylamino)propanoate
SMILESCN[C@@H](C)C(=O)ON
InChIInChI=1S/C4H10N2O2/c1-3(6-2)4(7)8-5/h3,6H,5H2,1-2H3/t3-/m0/s1
InChIKeyUXLGFLNZSMFQQP-VKHMYHEASA-N
XLogP-0.99
TPSA64.35 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 ≤ 5-0.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl (2R)-2-(methylamino)propanoate;hydrochloride
CID 138987649
diamino 2,3-dimethylbutanedioate
CID 22892701
propane;propyl (2S)-2-(methylamino)propanoate
CID 171562611
2-(methylamino)propanamide;hydrochloride
CID 71433439
amino 2-(methylamino)butanoate
CID 89108976
(2R)-2-(methylamino)propanethioic S-acid
CID 141057590
(2S)-2-(methylamino)propanoyl iodide
CID 118312739
(3S)-4-aminooxy-3-(methylamino)-4-oxobutanoic acid
CID 90914641
(4-hydroxyphenyl) 2-(methylamino)propanoate
CID 77292098
amino (2S)-3-hydrazinyl-2-methyl-3-oxopropanoate
CID 174723059
N-carbamoyl-2-(methylamino)propanamide
CID 43086023
(E)-2,3-dimethyl-4-(methylamino)pent-2-enamide
CID 90151676

Frequently Asked Questions

What is the IUPAC name of amino (2S)-2-(methylamino)propanoate?
The IUPAC name of amino (2S)-2-(methylamino)propanoate (CID 23546966) is amino (2S)-2-(methylamino)propanoate.
What is the SMILES notation for amino (2S)-2-(methylamino)propanoate?
The canonical SMILES for amino (2S)-2-(methylamino)propanoate is CN[C@@H](C)C(=O)ON.
What is the InChIKey of amino (2S)-2-(methylamino)propanoate?
The InChIKey is UXLGFLNZSMFQQP-VKHMYHEASA-N. The full InChI is InChI=1S/C4H10N2O2/c1-3(6-2)4(7)8-5/h3,6H,5H2,1-2H3/t3-/m0/s1.
What are the key properties of amino (2S)-2-(methylamino)propanoate?
amino (2S)-2-(methylamino)propanoate has a molecular weight of 118.14 g/mol, XLogP of -0.99, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for amino (2S)-2-(methylamino)propanoate is sourced from PubChem (CID 23546966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).