propan-2-yl (2S)-6-imino-5-oxo-2-[[(2S)-2-propan-2-yloxypentanoyl]amino]hexanoate

C17H30N2O5 — CID 167014877

IUPACpropan-2-yl (2S)-6-imino-5-oxo-2-[[(2S)-2-propan-2-yloxypentanoyl]amino]hexanoate
SMILES[H]/N=C/C(=O)CC[C@H](NC(=O)[C@H](CCC)OC(C)C)C(=O)OC(C)C
InChIInChI=1S/C17H30N2O5/c1-6-7-15(23-11(2)3)16(21)19-14(9-8-13(20)10-18)17(22)24-12(4)5/h10-12,14-15,18H,6-9H2,1-5H3,(H,19,21)/b18-10+/t14-,15-/m0/s1
InChIKeyWNJKZKXCOPINPW-CXJPLEHTSA-N
MW342.44 g/mol
LogP2.02
Rot. Bonds12

About propan-2-yl (2S)-6-imino-5-oxo-2-[[(2S)-2-propan-2-yloxypentanoyl]amino]hexanoate

propan-2-yl (2S)-6-imino-5-oxo-2-[[(2S)-2-propan-2-yloxypentanoyl]amino]hexanoate (PubChem CID 167014877) has the molecular formula C17H30N2O5 and a molecular weight of 342.44 g/mol. Its IUPAC name is propan-2-yl (2S)-6-imino-5-oxo-2-[[(2S)-2-propan-2-yloxypentanoyl]amino]hexanoate.

Molecular Properties

Compound Namepropan-2-yl (2S)-6-imino-5-oxo-2-[[(2S)-2-propan-2-yloxypentanoyl]amino]hexanoate
PubChem CID167014877
Molecular FormulaC17H30N2O5
Molecular Weight342.44 g/mol
Exact Mass342.22
IUPAC Namepropan-2-yl (2S)-6-imino-5-oxo-2-[[(2S)-2-propan-2-yloxypentanoyl]amino]hexanoate
SMILES[H]/N=C/C(=O)CC[C@H](NC(=O)[C@H](CCC)OC(C)C)C(=O)OC(C)C
InChIInChI=1S/C17H30N2O5/c1-6-7-15(23-11(2)3)16(21)19-14(9-8-13(20)10-18)17(22)24-12(4)5/h10-12,14-15,18H,6-9H2,1-5H3,(H,19,21)/b18-10+/t14-,15-/m0/s1
InChIKeyWNJKZKXCOPINPW-CXJPLEHTSA-N
XLogP2.02
TPSA105.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze propan-2-yl (2S)-6-imino-5-oxo-2-[[(2S)-2-propan-2-yloxypentanoyl]amino]hexanoate 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

propan-2-yl (2S)-6-imino-2-[[(2S)-2-methoxypentanoyl]amino]-5-oxohexanoate
CID 167014874
propan-2-yl (2S)-2-[[(2S)-3-hydroxy-2-methylpropanoyl]amino]-6-imino-5-oxohexanoate
CID 167015808
propan-2-yl (2S)-6-imino-2-[[(2S)-2-methoxy-4-methylpentanoyl]amino]-5-oxohexanoate
CID 167014856
propan-2-yl (2S)-6-imino-2-[[(2S)-3-methyl-2-sulfanylbutanoyl]amino]-5-oxohexanoate
CID 167014909
propan-2-yl (2S)-2-[[(2S)-2-(2,2-dimethylpropanoyloxy)propanoyl]amino]-6-imino-5-oxohexanoate
CID 167015094
propan-2-yl (2S)-2-(3-hydroxypropanoylamino)-6-imino-5-oxohexanoate
CID 167015814
propan-2-yl (2S)-2-[[(2S)-2-ethoxy-3-phenylpropanoyl]amino]-6-imino-5-oxohexanoate
CID 167015106
propan-2-yl (2S)-2-[[(2S)-2-hydroxyhexanoyl]amino]-7-imino-6-oxoheptanoate
CID 170445067
propan-2-yl (2S)-2-[[(2S)-2,4-bis(methylsulfanyl)butanoyl]amino]-6-imino-5-oxohexanoate
CID 167015747
propan-2-yl (2S)-2-[[(2S)-3-(7-fluoro-1H-indol-3-yl)-2-propan-2-yloxypropanoyl]amino]-6-imino-5-oxohexanoate
CID 167015817
propan-2-yl (2S)-6-imino-2-[[(2S)-2-methoxy-2-(1H-pyrrol-2-yl)acetyl]amino]-5-oxohexanoate
CID 170445453
6-diazo-5-oxo-2-(2-propan-2-yloxypentanoylamino)hexanoic acid
CID 170437197

Frequently Asked Questions

What is the IUPAC name of propan-2-yl (2S)-6-imino-5-oxo-2-[[(2S)-2-propan-2-yloxypentanoyl]amino]hexanoate?
The IUPAC name of propan-2-yl (2S)-6-imino-5-oxo-2-[[(2S)-2-propan-2-yloxypentanoyl]amino]hexanoate (CID 167014877) is propan-2-yl (2S)-6-imino-5-oxo-2-[[(2S)-2-propan-2-yloxypentanoyl]amino]hexanoate.
What is the SMILES notation for propan-2-yl (2S)-6-imino-5-oxo-2-[[(2S)-2-propan-2-yloxypentanoyl]amino]hexanoate?
The canonical SMILES for propan-2-yl (2S)-6-imino-5-oxo-2-[[(2S)-2-propan-2-yloxypentanoyl]amino]hexanoate is [H]/N=C/C(=O)CC[C@H](NC(=O)[C@H](CCC)OC(C)C)C(=O)OC(C)C.
What is the InChIKey of propan-2-yl (2S)-6-imino-5-oxo-2-[[(2S)-2-propan-2-yloxypentanoyl]amino]hexanoate?
The InChIKey is WNJKZKXCOPINPW-CXJPLEHTSA-N. The full InChI is InChI=1S/C17H30N2O5/c1-6-7-15(23-11(2)3)16(21)19-14(9-8-13(20)10-18)17(22)24-12(4)5/h10-12,14-15,18H,6-9H2,1-5H3,(H,19,21)/b18-10+/t14-,15-/m0/s1.
What are the key properties of propan-2-yl (2S)-6-imino-5-oxo-2-[[(2S)-2-propan-2-yloxypentanoyl]amino]hexanoate?
propan-2-yl (2S)-6-imino-5-oxo-2-[[(2S)-2-propan-2-yloxypentanoyl]amino]hexanoate has a molecular weight of 342.44 g/mol, XLogP of 2.02, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl (2S)-6-imino-5-oxo-2-[[(2S)-2-propan-2-yloxypentanoyl]amino]hexanoate is sourced from PubChem (CID 167014877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).