[(2S)-2-aminopropanoyl]oxy-oxo-(propan-2-ylamino)phosphanium

C6H14N2O3P+ — CID 118456400

IUPAC[(2S)-2-aminopropanoyl]oxy-oxo-(propan-2-ylamino)phosphanium
SMILESCC(C)N[P+](=O)OC(=O)[C@H](C)N
InChIInChI=1S/C6H14N2O3P/c1-4(2)8-12(10)11-6(9)5(3)7/h4-5H,7H2,1-3H3,(H,8,10)/q+1/t5-/m0/s1
InChIKeyVMAZURIJGCVYDM-YFKPBYRVSA-N
MW193.16 g/mol
LogP0.53
Rot. Bonds4

About [(2S)-2-aminopropanoyl]oxy-oxo-(propan-2-ylamino)phosphanium

[(2S)-2-aminopropanoyl]oxy-oxo-(propan-2-ylamino)phosphanium (PubChem CID 118456400) has the molecular formula C6H14N2O3P+ and a molecular weight of 193.16 g/mol. Its IUPAC name is [(2S)-2-aminopropanoyl]oxy-oxo-(propan-2-ylamino)phosphanium.

Molecular Properties

Compound Name[(2S)-2-aminopropanoyl]oxy-oxo-(propan-2-ylamino)phosphanium
PubChem CID118456400
Molecular FormulaC6H14N2O3P+
Molecular Weight193.16 g/mol
Exact Mass193.07
IUPAC Name[(2S)-2-aminopropanoyl]oxy-oxo-(propan-2-ylamino)phosphanium
SMILESCC(C)N[P+](=O)OC(=O)[C@H](C)N
InChIInChI=1S/C6H14N2O3P/c1-4(2)8-12(10)11-6(9)5(3)7/h4-5H,7H2,1-3H3,(H,8,10)/q+1/t5-/m0/s1
InChIKeyVMAZURIJGCVYDM-YFKPBYRVSA-N
XLogP0.53
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.16
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

methyl 2-aminopropanoate
CID 159707893
[(2R)-2-aminopropanoyl] (2R)-2-aminopropanoate
CID 54111393
potassium ethyl-N-isopropylphosphonamidate
CID 131710024
CID 86589108
CID 86589108
propan-2-yl 2-aminopropanoate
CID 11804791
propan-2-yl (2S)-2-aminopropanoate
CID 13089460
carbamoyl (2R)-2-aminopropanoate
CID 139238224
acetyl (2R)-2-aminopropanoate
CID 11829476
aminomethyl (2S)-2-aminopropanoate
CID 139681738
1-cyclohexylethyl (2S)-2-aminopropanoate
CID 165176376
methoxy-oxo-[[(2S)-1-oxo-1-propan-2-yloxypropan-2-yl]amino]phosphanium
CID 90399130
9-borabicyclo[3.3.1]nonan-9-yl (2S)-2-aminopropanoate
CID 14019573

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-aminopropanoyl]oxy-oxo-(propan-2-ylamino)phosphanium?
The IUPAC name of [(2S)-2-aminopropanoyl]oxy-oxo-(propan-2-ylamino)phosphanium (CID 118456400) is [(2S)-2-aminopropanoyl]oxy-oxo-(propan-2-ylamino)phosphanium.
What is the SMILES notation for [(2S)-2-aminopropanoyl]oxy-oxo-(propan-2-ylamino)phosphanium?
The canonical SMILES for [(2S)-2-aminopropanoyl]oxy-oxo-(propan-2-ylamino)phosphanium is CC(C)N[P+](=O)OC(=O)[C@H](C)N.
What is the InChIKey of [(2S)-2-aminopropanoyl]oxy-oxo-(propan-2-ylamino)phosphanium?
The InChIKey is VMAZURIJGCVYDM-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H14N2O3P/c1-4(2)8-12(10)11-6(9)5(3)7/h4-5H,7H2,1-3H3,(H,8,10)/q+1/t5-/m0/s1.
What are the key properties of [(2S)-2-aminopropanoyl]oxy-oxo-(propan-2-ylamino)phosphanium?
[(2S)-2-aminopropanoyl]oxy-oxo-(propan-2-ylamino)phosphanium has a molecular weight of 193.16 g/mol, XLogP of 0.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-aminopropanoyl]oxy-oxo-(propan-2-ylamino)phosphanium is sourced from PubChem (CID 118456400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).