propan-2-yl (2S)-2-[[(2S)-2-cyclopentyl-2-cyclopropyloxyacetyl]amino]-6-diazo-5-oxohexanoate

C19H29N3O5 — CID 170443556

IUPACpropan-2-yl (2S)-2-[[(2S)-2-cyclopentyl-2-cyclopropyloxyacetyl]amino]-6-diazo-5-oxohexanoate
SMILESCC(C)OC(=O)[C@H](CCC(=O)C=[N+]=[N-])NC(=O)[C@@H](OC1CC1)C1CCCC1
InChIInChI=1S/C19H29N3O5/c1-12(2)26-19(25)16(10-7-14(23)11-21-20)22-18(24)17(27-15-8-9-15)13-5-3-4-6-13/h11-13,15-17H,3-10H2,1-2H3,(H,22,24)/t16-,17-/m0/s1
InChIKeyFAJSJIWONIHHST-IRXDYDNUSA-N
MW379.46 g/mol
LogP1.81
Rot. Bonds11

About propan-2-yl (2S)-2-[[(2S)-2-cyclopentyl-2-cyclopropyloxyacetyl]amino]-6-diazo-5-oxohexanoate

propan-2-yl (2S)-2-[[(2S)-2-cyclopentyl-2-cyclopropyloxyacetyl]amino]-6-diazo-5-oxohexanoate (PubChem CID 170443556) has the molecular formula C19H29N3O5 and a molecular weight of 379.46 g/mol. Its IUPAC name is propan-2-yl (2S)-2-[[(2S)-2-cyclopentyl-2-cyclopropyloxyacetyl]amino]-6-diazo-5-oxohexanoate.

Molecular Properties

Compound Namepropan-2-yl (2S)-2-[[(2S)-2-cyclopentyl-2-cyclopropyloxyacetyl]amino]-6-diazo-5-oxohexanoate
PubChem CID170443556
Molecular FormulaC19H29N3O5
Molecular Weight379.46 g/mol
Exact Mass379.21
IUPAC Namepropan-2-yl (2S)-2-[[(2S)-2-cyclopentyl-2-cyclopropyloxyacetyl]amino]-6-diazo-5-oxohexanoate
SMILESCC(C)OC(=O)[C@H](CCC(=O)C=[N+]=[N-])NC(=O)[C@@H](OC1CC1)C1CCCC1
InChIInChI=1S/C19H29N3O5/c1-12(2)26-19(25)16(10-7-14(23)11-21-20)22-18(24)17(27-15-8-9-15)13-5-3-4-6-13/h11-13,15-17H,3-10H2,1-2H3,(H,22,24)/t16-,17-/m0/s1
InChIKeyFAJSJIWONIHHST-IRXDYDNUSA-N
XLogP1.81
TPSA118.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze propan-2-yl (2S)-2-[[(2S)-2-cyclopentyl-2-cyclopropyloxyacetyl]amino]-6-diazo-5-oxohexanoate with MolForge

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Launch Full Analysis

Related Compounds

propan-2-yl (2S)-6-diazo-5-oxo-2-[[(2S)-2-sulfanylpropanoyl]amino]hexanoate
CID 170532568
propan-2-yl (2S)-6-diazo-2-[[(2S)-3-hydroxy-2-methylpropanoyl]amino]-5-oxohexanoate
CID 170443645
propan-2-yl (2S)-6-diazo-2-[[(2R)-2-hydroxy-3-oxobutanoyl]amino]-5-oxohexanoate
CID 170443687
propan-2-yl (2S)-6-diazo-2-[[(2R,3S)-3-methoxy-2-methylbutanoyl]amino]-5-oxohexanoate
CID 170443655
propan-2-yl (2S)-6-diazo-2-[[(2R)-oxane-2-carbonyl]amino]-5-oxohexanoate
CID 170443660
propan-2-yl (2S)-6-diazo-5-oxo-2-[[(2S)-oxolane-2-carbonyl]amino]hexanoate
CID 170443625
propan-2-yl (2S)-6-diazo-2-[[(2S,3R)-2-methoxy-3-methylpentanoyl]amino]-5-oxohexanoate
CID 170532363
propan-2-yl (2S)-2-[(2-cyano-2-hydroxyacetyl)amino]-6-diazo-5-oxohexanoate
CID 170443676
propan-2-yl (2S)-6-diazo-2-[[(2R)-2-methoxy-3-oxobutanoyl]amino]-5-oxohexanoate
CID 170443686
propan-2-yl (2S)-6-diazo-2-[[(3S)-oxane-3-carbonyl]amino]-5-oxohexanoate
CID 170443628
propan-2-yl (2S)-2-[[(2S)-2-[[(4S)-4-amino-5-oxo-5-propan-2-yloxypentanoyl]amino]-6-diazo-5-oxohexanoyl]amino]-6-diazo-5-oxohexanoate
CID 171550238
propan-2-yl (2S)-2-[[(2S)-2-cyano-2-methoxyacetyl]amino]-6-diazo-5-oxohexanoate
CID 175969029

Frequently Asked Questions

What is the IUPAC name of propan-2-yl (2S)-2-[[(2S)-2-cyclopentyl-2-cyclopropyloxyacetyl]amino]-6-diazo-5-oxohexanoate?
The IUPAC name of propan-2-yl (2S)-2-[[(2S)-2-cyclopentyl-2-cyclopropyloxyacetyl]amino]-6-diazo-5-oxohexanoate (CID 170443556) is propan-2-yl (2S)-2-[[(2S)-2-cyclopentyl-2-cyclopropyloxyacetyl]amino]-6-diazo-5-oxohexanoate.
What is the SMILES notation for propan-2-yl (2S)-2-[[(2S)-2-cyclopentyl-2-cyclopropyloxyacetyl]amino]-6-diazo-5-oxohexanoate?
The canonical SMILES for propan-2-yl (2S)-2-[[(2S)-2-cyclopentyl-2-cyclopropyloxyacetyl]amino]-6-diazo-5-oxohexanoate is CC(C)OC(=O)[C@H](CCC(=O)C=[N+]=[N-])NC(=O)[C@@H](OC1CC1)C1CCCC1.
What is the InChIKey of propan-2-yl (2S)-2-[[(2S)-2-cyclopentyl-2-cyclopropyloxyacetyl]amino]-6-diazo-5-oxohexanoate?
The InChIKey is FAJSJIWONIHHST-IRXDYDNUSA-N. The full InChI is InChI=1S/C19H29N3O5/c1-12(2)26-19(25)16(10-7-14(23)11-21-20)22-18(24)17(27-15-8-9-15)13-5-3-4-6-13/h11-13,15-17H,3-10H2,1-2H3,(H,22,24)/t16-,17-/m0/s1.
What are the key properties of propan-2-yl (2S)-2-[[(2S)-2-cyclopentyl-2-cyclopropyloxyacetyl]amino]-6-diazo-5-oxohexanoate?
propan-2-yl (2S)-2-[[(2S)-2-cyclopentyl-2-cyclopropyloxyacetyl]amino]-6-diazo-5-oxohexanoate has a molecular weight of 379.46 g/mol, XLogP of 1.81, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl (2S)-2-[[(2S)-2-cyclopentyl-2-cyclopropyloxyacetyl]amino]-6-diazo-5-oxohexanoate is sourced from PubChem (CID 170443556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).