4-[[(2S)-3-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]piperidine-1-carboxylic acid

C15H27N3O6 — CID 91352296

IUPAC4-[[(2S)-3-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]piperidine-1-carboxylic acid
SMILESCOC[C@H](NC(=O)OC(C)(C)C)C(=O)NC1CCN(C(=O)O)CC1
InChIInChI=1S/C15H27N3O6/c1-15(2,3)24-13(20)17-11(9-23-4)12(19)16-10-5-7-18(8-6-10)14(21)22/h10-11H,5-9H2,1-4H3,(H,16,19)(H,17,20)(H,21,22)/t11-/m0/s1
InChIKeySNCLVIYFCZWGMV-NSHDSACASA-N
MW345.40 g/mol
LogP0.78
Rot. Bonds5

About 4-[[(2S)-3-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]piperidine-1-carboxylic acid

4-[[(2S)-3-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]piperidine-1-carboxylic acid (PubChem CID 91352296) has the molecular formula C15H27N3O6 and a molecular weight of 345.40 g/mol. Its IUPAC name is 4-[[(2S)-3-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[[(2S)-3-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]piperidine-1-carboxylic acid
PubChem CID91352296
Molecular FormulaC15H27N3O6
Molecular Weight345.40 g/mol
Exact Mass345.19
IUPAC Name4-[[(2S)-3-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]piperidine-1-carboxylic acid
SMILESCOC[C@H](NC(=O)OC(C)(C)C)C(=O)NC1CCN(C(=O)O)CC1
InChIInChI=1S/C15H27N3O6/c1-15(2,3)24-13(20)17-11(9-23-4)12(19)16-10-5-7-18(8-6-10)14(21)22/h10-11H,5-9H2,1-4H3,(H,16,19)(H,17,20)(H,21,22)/t11-/m0/s1
InChIKeySNCLVIYFCZWGMV-NSHDSACASA-N
XLogP0.78
TPSA117.20 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[(2S)-3-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]piperidine-1-carboxylic acid?
The IUPAC name of 4-[[(2S)-3-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]piperidine-1-carboxylic acid (CID 91352296) is 4-[[(2S)-3-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[[(2S)-3-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[[(2S)-3-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]piperidine-1-carboxylic acid is COC[C@H](NC(=O)OC(C)(C)C)C(=O)NC1CCN(C(=O)O)CC1.
What is the InChIKey of 4-[[(2S)-3-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]piperidine-1-carboxylic acid?
The InChIKey is SNCLVIYFCZWGMV-NSHDSACASA-N. The full InChI is InChI=1S/C15H27N3O6/c1-15(2,3)24-13(20)17-11(9-23-4)12(19)16-10-5-7-18(8-6-10)14(21)22/h10-11H,5-9H2,1-4H3,(H,16,19)(H,17,20)(H,21,22)/t11-/m0/s1.
What are the key properties of 4-[[(2S)-3-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]piperidine-1-carboxylic acid?
4-[[(2S)-3-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]piperidine-1-carboxylic acid has a molecular weight of 345.40 g/mol, XLogP of 0.78, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2S)-3-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]piperidine-1-carboxylic acid is sourced from PubChem (CID 91352296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).