1-[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]piperidine-4-carboxylic acid

C17H30N2O5 — CID 2018970

IUPAC1-[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]piperidine-4-carboxylic acid
SMILESCC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C17H30N2O5/c1-11(2)10-13(18-16(23)24-17(3,4)5)14(20)19-8-6-12(7-9-19)15(21)22/h11-13H,6-10H2,1-5H3,(H,18,23)(H,21,22)/t13-/m0/s1
InChIKeyFMUHXOODFSGABP-ZDUSSCGKSA-N
MW342.44 g/mol
LogP2.25
Rot. Bonds5

About 1-[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]piperidine-4-carboxylic acid

1-[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]piperidine-4-carboxylic acid (PubChem CID 2018970) has the molecular formula C17H30N2O5 and a molecular weight of 342.44 g/mol. Its IUPAC name is 1-[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]piperidine-4-carboxylic acid
PubChem CID2018970
Molecular FormulaC17H30N2O5
Molecular Weight342.44 g/mol
Exact Mass342.22
IUPAC Name1-[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]piperidine-4-carboxylic acid
SMILESCC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C17H30N2O5/c1-11(2)10-13(18-16(23)24-17(3,4)5)14(20)19-8-6-12(7-9-19)15(21)22/h11-13H,6-10H2,1-5H3,(H,18,23)(H,21,22)/t13-/m0/s1
InChIKeyFMUHXOODFSGABP-ZDUSSCGKSA-N
XLogP2.25
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]piperidine-4-carboxylic acid with MolForge

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Related Compounds

1-(2-tert-Butoxycarbonylamino-acetyl)-piperidine-4-carboxylic acid
CID 664919
3-{[1-((R)-6-Amino-2-tert-butoxycarbonylamino-hexanoyl)-piperidine-3-carbonyl]-amino}-propionic acid
CID 9980010
3-{[1-((S)-6-Amino-2-tert-butoxycarbonylamino-hexanoyl)-piperidine-3-carbonyl]-amino}-propionic acid
CID 11743323
3-{[(R)-1-((S)-6-Amino-2-tert-butoxycarbonylamino-hexanoyl)-piperidine-3-carbonyl]-amino}-propionic acid
CID 44287569
3-{[(S)-1-((S)-6-Amino-2-tert-butoxycarbonylamino-hexanoyl)-piperidine-3-carbonyl]-amino}-propionic acid
CID 44287570
N-(tert-butoxycarbonyl)leucylleucine
CID 3243056
(R)-1-(1-(tert-butoxycarbonyl)pyrrolidine-2-carbonyl)piperidine-4-carboxylic acid
CID 664954
4-{[1-((S)-6-Amino-2-tert-butoxycarbonylamino-hexanoyl)-piperidine-3-carbonyl]-amino}-butyric acid
CID 10456038
1-(2-{[(Tert-butoxy)carbonyl]amino}ethyl)piperidine-4-carboxylic acid
CID 137945166
4-{[1-((R)-6-Amino-2-tert-butoxycarbonylamino-hexanoyl)-piperidine-3-carbonyl]-amino}-butyric acid
CID 9980810
3-{[1-((R)-2-tert-Butoxycarbonylamino-6-isopropylamino-hexanoyl)-piperidine-3-carbonyl]-amino}-propionic acid
CID 44287634
1-((2S)-1-((tert-butoxy)carbonyl)pyrrolidine-2-carbonyl)piperidine-4-carboxylic acid
CID 947573

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]piperidine-4-carboxylic acid (CID 2018970) is 1-[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]piperidine-4-carboxylic acid is CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C(=O)O)CC1.
What is the InChIKey of 1-[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]piperidine-4-carboxylic acid?
The InChIKey is FMUHXOODFSGABP-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H30N2O5/c1-11(2)10-13(18-16(23)24-17(3,4)5)14(20)19-8-6-12(7-9-19)15(21)22/h11-13H,6-10H2,1-5H3,(H,18,23)(H,21,22)/t13-/m0/s1.
What are the key properties of 1-[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]piperidine-4-carboxylic acid?
1-[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]piperidine-4-carboxylic acid has a molecular weight of 342.44 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 2018970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).