propan-2-yl (2S)-2-azido-3-[[(1R)-1-phenylethyl]amino]propanoate

C14H20N4O2 — CID 102398757

IUPACpropan-2-yl (2S)-2-azido-3-[[(1R)-1-phenylethyl]amino]propanoate
SMILESCC(C)OC(=O)[C@H](CN[C@H](C)c1ccccc1)N=[N+]=[N-]
InChIInChI=1S/C14H20N4O2/c1-10(2)20-14(19)13(17-18-15)9-16-11(3)12-7-5-4-6-8-12/h4-8,10-11,13,16H,9H2,1-3H3/t11-,13+/m1/s1
InChIKeyKYUIGKKXSYQWTL-YPMHNXCESA-N
MW276.34 g/mol
LogP2.97
Rot. Bonds7

About propan-2-yl (2S)-2-azido-3-[[(1R)-1-phenylethyl]amino]propanoate

propan-2-yl (2S)-2-azido-3-[[(1R)-1-phenylethyl]amino]propanoate (PubChem CID 102398757) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is propan-2-yl (2S)-2-azido-3-[[(1R)-1-phenylethyl]amino]propanoate.

Molecular Properties

Compound Namepropan-2-yl (2S)-2-azido-3-[[(1R)-1-phenylethyl]amino]propanoate
PubChem CID102398757
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Namepropan-2-yl (2S)-2-azido-3-[[(1R)-1-phenylethyl]amino]propanoate
SMILESCC(C)OC(=O)[C@H](CN[C@H](C)c1ccccc1)N=[N+]=[N-]
InChIInChI=1S/C14H20N4O2/c1-10(2)20-14(19)13(17-18-15)9-16-11(3)12-7-5-4-6-8-12/h4-8,10-11,13,16H,9H2,1-3H3/t11-,13+/m1/s1
InChIKeyKYUIGKKXSYQWTL-YPMHNXCESA-N
XLogP2.97
TPSA87.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze propan-2-yl (2S)-2-azido-3-[[(1R)-1-phenylethyl]amino]propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-fluorophenyl) (2S)-2-azido-3-[[(1R)-1-phenylethyl]amino]propanoate
CID 102398759
pyren-1-yl (2S)-2-azido-3-[[(1R)-1-phenylethyl]amino]propanoate
CID 102398752
methyl (2S,3R)-2-azido-3-hydroxy-3-phenylpropanoate
CID 15138856
ethyl 3-hydroxy-4-(1-phenylethylamino)butanoate
CID 103230788
propan-2-yl (2R)-2-phenylbutanoate
CID 15006686
2-phenyl-3-[[(1R)-1-phenylethyl]amino]propanoic acid
CID 78996615
ethane;propan-2-yl 2-phenylpentanoate
CID 145424000
2-methyl-N-[(1R)-1-phenylethyl]-3-[[(1S)-1-phenylethyl]amino]propanamide
CID 102214409
3-methyl-4-[[(1S)-1-phenylethyl]amino]butanoic acid
CID 66667433
1,3-bis[[(1S)-1-phenylethyl]amino]propan-2-ol
CID 15470316
1,4-bis(1-phenylethylamino)butane-2,3-diol
CID 20833353
(3S)-3-[[[(1S)-1-phenylethyl]amino]methyl]pentanoic acid
CID 66666559

Frequently Asked Questions

What is the IUPAC name of propan-2-yl (2S)-2-azido-3-[[(1R)-1-phenylethyl]amino]propanoate?
The IUPAC name of propan-2-yl (2S)-2-azido-3-[[(1R)-1-phenylethyl]amino]propanoate (CID 102398757) is propan-2-yl (2S)-2-azido-3-[[(1R)-1-phenylethyl]amino]propanoate.
What is the SMILES notation for propan-2-yl (2S)-2-azido-3-[[(1R)-1-phenylethyl]amino]propanoate?
The canonical SMILES for propan-2-yl (2S)-2-azido-3-[[(1R)-1-phenylethyl]amino]propanoate is CC(C)OC(=O)[C@H](CN[C@H](C)c1ccccc1)N=[N+]=[N-].
What is the InChIKey of propan-2-yl (2S)-2-azido-3-[[(1R)-1-phenylethyl]amino]propanoate?
The InChIKey is KYUIGKKXSYQWTL-YPMHNXCESA-N. The full InChI is InChI=1S/C14H20N4O2/c1-10(2)20-14(19)13(17-18-15)9-16-11(3)12-7-5-4-6-8-12/h4-8,10-11,13,16H,9H2,1-3H3/t11-,13+/m1/s1.
What are the key properties of propan-2-yl (2S)-2-azido-3-[[(1R)-1-phenylethyl]amino]propanoate?
propan-2-yl (2S)-2-azido-3-[[(1R)-1-phenylethyl]amino]propanoate has a molecular weight of 276.34 g/mol, XLogP of 2.97, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl (2S)-2-azido-3-[[(1R)-1-phenylethyl]amino]propanoate is sourced from PubChem (CID 102398757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).