(2S,5R)-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-2-carboxylic acid

C11H20N2O4 — CID 146082538

IUPAC(2S,5R)-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-2-carboxylic acid
SMILESCC(C)(C)OC(=O)N[C@@H]1CC[C@@H](C(=O)O)NC1
InChIInChI=1S/C11H20N2O4/c1-11(2,3)17-10(16)13-7-4-5-8(9(14)15)12-6-7/h7-8,12H,4-6H2,1-3H3,(H,13,16)(H,14,15)/t7-,8+/m1/s1
InChIKeyOLLOQNFZXOUIET-SFYZADRCSA-N
MW244.29 g/mol
LogP0.72
Rot. Bonds2

About (2S,5R)-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-2-carboxylic acid

(2S,5R)-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-2-carboxylic acid (PubChem CID 146082538) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is (2S,5R)-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,5R)-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-2-carboxylic acid
PubChem CID146082538
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Name(2S,5R)-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-2-carboxylic acid
SMILESCC(C)(C)OC(=O)N[C@@H]1CC[C@@H](C(=O)O)NC1
InChIInChI=1S/C11H20N2O4/c1-11(2,3)17-10(16)13-7-4-5-8(9(14)15)12-6-7/h7-8,12H,4-6H2,1-3H3,(H,13,16)(H,14,15)/t7-,8+/m1/s1
InChIKeyOLLOQNFZXOUIET-SFYZADRCSA-N
XLogP0.72
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2S,5R)-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-2-carboxylic acid with MolForge

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Related Compounds

methyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-2-carboxylate
CID 22362314
2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-2-yl]acetic acid
CID 69024931
tert-butyl N-(6-ethylpiperidin-3-yl)carbamate
CID 118142563
2-[(2R,5R)-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-2-yl]butanoic acid
CID 67270156
4-[[3,3-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]pyrrolidine-2-carboxylic acid
CID 139425859
tert-butyl N-[(3S)-azepan-3-yl]carbamate;oxalic acid
CID 154705936
tert-butyl N-(4-arsanylcyclohexyl)carbamate
CID 173124516
[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]azanium
CID 7021549
tert-butyl N-[4-(tert-butylamino)cyclohexyl]carbamate
CID 69286066
tert-butyl N-[4-(oxiran-2-yl)cyclohexyl]carbamate
CID 87128955
tert-butyl N-[(3aS,5R,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-5-yl]carbamate
CID 124709566
tert-butyl N-(6-methylidenepiperidin-3-yl)carbamate
CID 134551040

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-2-carboxylic acid?
The IUPAC name of (2S,5R)-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-2-carboxylic acid (CID 146082538) is (2S,5R)-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-2-carboxylic acid.
What is the SMILES notation for (2S,5R)-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-2-carboxylic acid?
The canonical SMILES for (2S,5R)-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-2-carboxylic acid is CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](C(=O)O)NC1.
What is the InChIKey of (2S,5R)-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-2-carboxylic acid?
The InChIKey is OLLOQNFZXOUIET-SFYZADRCSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-11(2,3)17-10(16)13-7-4-5-8(9(14)15)12-6-7/h7-8,12H,4-6H2,1-3H3,(H,13,16)(H,14,15)/t7-,8+/m1/s1.
What are the key properties of (2S,5R)-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-2-carboxylic acid?
(2S,5R)-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-2-carboxylic acid has a molecular weight of 244.29 g/mol, XLogP of 0.72, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-2-carboxylic acid is sourced from PubChem (CID 146082538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).