1-[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]piperidine-2-carboxylic acid

C16H28N2O5 — CID 10782515

IUPAC1-[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]piperidine-2-carboxylic acid
SMILESCC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCCC1C(=O)O
InChIInChI=1S/C16H28N2O5/c1-10(2)12(17-15(22)23-16(3,4)5)13(19)18-9-7-6-8-11(18)14(20)21/h10-12H,6-9H2,1-5H3,(H,17,22)(H,20,21)/t11?,12-/m0/s1
InChIKeyHZLMNBCZGFRZQE-KIYNQFGBSA-N
MW328.41 g/mol
LogP2.00
Rot. Bonds4

About 1-[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]piperidine-2-carboxylic acid

1-[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]piperidine-2-carboxylic acid (PubChem CID 10782515) has the molecular formula C16H28N2O5 and a molecular weight of 328.41 g/mol. Its IUPAC name is 1-[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]piperidine-2-carboxylic acid
PubChem CID10782515
Molecular FormulaC16H28N2O5
Molecular Weight328.41 g/mol
Exact Mass328.20
IUPAC Name1-[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]piperidine-2-carboxylic acid
SMILESCC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCCC1C(=O)O
InChIInChI=1S/C16H28N2O5/c1-10(2)12(17-15(22)23-16(3,4)5)13(19)18-9-7-6-8-11(18)14(20)21/h10-12H,6-9H2,1-5H3,(H,17,22)(H,20,21)/t11?,12-/m0/s1
InChIKeyHZLMNBCZGFRZQE-KIYNQFGBSA-N
XLogP2.00
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]piperidine-2-carboxylic acid?
The IUPAC name of 1-[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]piperidine-2-carboxylic acid (CID 10782515) is 1-[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]piperidine-2-carboxylic acid?
The canonical SMILES for 1-[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]piperidine-2-carboxylic acid is CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCCC1C(=O)O.
What is the InChIKey of 1-[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]piperidine-2-carboxylic acid?
The InChIKey is HZLMNBCZGFRZQE-KIYNQFGBSA-N. The full InChI is InChI=1S/C16H28N2O5/c1-10(2)12(17-15(22)23-16(3,4)5)13(19)18-9-7-6-8-11(18)14(20)21/h10-12H,6-9H2,1-5H3,(H,17,22)(H,20,21)/t11?,12-/m0/s1.
What are the key properties of 1-[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]piperidine-2-carboxylic acid?
1-[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]piperidine-2-carboxylic acid has a molecular weight of 328.41 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 10782515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).