(2S)-2-(propan-2-ylideneamino)oxypropanoate

C6H10NO3- — CID 6931653

IUPAC(2S)-2-(propan-2-ylideneamino)oxypropanoate
SMILESCC(C)=NO[C@@H](C)C(=O)[O-]
InChIInChI=1S/C6H11NO3/c1-4(2)7-10-5(3)6(8)9/h5H,1-3H3,(H,8,9)/p-1/t5-/m0/s1
InChIKeyDVTXLOLRLNACCF-YFKPBYRVSA-M
MW144.15 g/mol
LogP-0.46
Rot. Bonds3

About (2S)-2-(propan-2-ylideneamino)oxypropanoate

(2S)-2-(propan-2-ylideneamino)oxypropanoate (PubChem CID 6931653) has the molecular formula C6H10NO3- and a molecular weight of 144.15 g/mol. Its IUPAC name is (2S)-2-(propan-2-ylideneamino)oxypropanoate.

Molecular Properties

Compound Name(2S)-2-(propan-2-ylideneamino)oxypropanoate
PubChem CID6931653
Molecular FormulaC6H10NO3-
Molecular Weight144.15 g/mol
Exact Mass144.07
IUPAC Name(2S)-2-(propan-2-ylideneamino)oxypropanoate
SMILESCC(C)=NO[C@@H](C)C(=O)[O-]
InChIInChI=1S/C6H11NO3/c1-4(2)7-10-5(3)6(8)9/h5H,1-3H3,(H,8,9)/p-1/t5-/m0/s1
InChIKeyDVTXLOLRLNACCF-YFKPBYRVSA-M
XLogP-0.46
TPSA61.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.15
LogP ≤ 5-0.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-acetyloxypropanoate
CID 40784882
2-(propan-2-ylideneamino)oxypropanal
CID 89487269
1-(propan-2-ylideneamino)oxyethyl propanoate
CID 88654744
sodium 2-ethoxypropanoate
CID 141029681
(2S)-2-sulfonatooxypropanoate
CID 25200888
azanium;tris(2-hydroxypropanoate);manganese(2+)
CID 158994016
bis(2-hydroxypropanoate);manganese(2+);hydrate
CID 161275678
2-(butan-2-ylideneamino)oxypropanoic acid
CID 155659771
2-(2-hydroxyethoxy)propanoate
CID 19884519
methyl 2-(diaminomethylideneamino)oxypropanoate
CID 23036880
methyl 2-acetyloxy-2-(propan-2-ylideneamino)oxyacetate
CID 21468129
barium(2+);bis(2-methylpropanoate)
CID 23219604

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(propan-2-ylideneamino)oxypropanoate?
The IUPAC name of (2S)-2-(propan-2-ylideneamino)oxypropanoate (CID 6931653) is (2S)-2-(propan-2-ylideneamino)oxypropanoate.
What is the SMILES notation for (2S)-2-(propan-2-ylideneamino)oxypropanoate?
The canonical SMILES for (2S)-2-(propan-2-ylideneamino)oxypropanoate is CC(C)=NO[C@@H](C)C(=O)[O-].
What is the InChIKey of (2S)-2-(propan-2-ylideneamino)oxypropanoate?
The InChIKey is DVTXLOLRLNACCF-YFKPBYRVSA-M. The full InChI is InChI=1S/C6H11NO3/c1-4(2)7-10-5(3)6(8)9/h5H,1-3H3,(H,8,9)/p-1/t5-/m0/s1.
What are the key properties of (2S)-2-(propan-2-ylideneamino)oxypropanoate?
(2S)-2-(propan-2-ylideneamino)oxypropanoate has a molecular weight of 144.15 g/mol, XLogP of -0.46, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(propan-2-ylideneamino)oxypropanoate is sourced from PubChem (CID 6931653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).