[(2S)-piperidin-2-yl]methylcarbamic acid

C7H14N2O2 — CID 67090489

IUPAC[(2S)-piperidin-2-yl]methylcarbamic acid
SMILESO=C(O)NC[C@@H]1CCCCN1
InChIInChI=1S/C7H14N2O2/c10-7(11)9-5-6-3-1-2-4-8-6/h6,8-9H,1-5H2,(H,10,11)/t6-/m0/s1
InChIKeyZUINTLTYLSXKMV-LURJTMIESA-N
MW158.20 g/mol
LogP0.40
Rot. Bonds2

About [(2S)-piperidin-2-yl]methylcarbamic acid

[(2S)-piperidin-2-yl]methylcarbamic acid (PubChem CID 67090489) has the molecular formula C7H14N2O2 and a molecular weight of 158.20 g/mol. Its IUPAC name is [(2S)-piperidin-2-yl]methylcarbamic acid.

Molecular Properties

Compound Name[(2S)-piperidin-2-yl]methylcarbamic acid
PubChem CID67090489
Molecular FormulaC7H14N2O2
Molecular Weight158.20 g/mol
Exact Mass158.11
IUPAC Name[(2S)-piperidin-2-yl]methylcarbamic acid
SMILESO=C(O)NC[C@@H]1CCCCN1
InChIInChI=1S/C7H14N2O2/c10-7(11)9-5-6-3-1-2-4-8-6/h6,8-9H,1-5H2,(H,10,11)/t6-/m0/s1
InChIKeyZUINTLTYLSXKMV-LURJTMIESA-N
XLogP0.40
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 50.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-(pyrrolidin-2-ylmethyl)acetamide
CID 71302527
1-cyclopropyl-3-(piperidin-2-ylmethyl)urea
CID 62700229
1-amino-N-(piperidin-2-ylmethyl)cyclopropane-1-carboxamide
CID 130961670
N-(piperidin-2-ylmethyl)bicyclo[3.1.0]hexane-6-carboxamide
CID 81479063
1-tert-butyl-3-(piperidin-2-ylmethyl)urea
CID 43210550
3,3,3-trifluoro-N-(piperidin-2-ylmethyl)-2-(trifluoromethyl)propanamide
CID 103309459
2-phenyl-N-(piperidin-2-ylmethyl)propanamide
CID 114028770
1-methyl-N-(piperidin-2-ylmethyl)cyclohexane-1-carboxamide
CID 106826694
(2R)-5-oxo-N-(piperidin-2-ylmethyl)pyrrolidine-2-carboxamide
CID 103805969
N'-cyclopentyl-N-[[(2R)-pyrrolidin-2-yl]methyl]oxamide
CID 167012644
4-hydroxy-N-[[(2R)-pyrrolidin-2-yl]methyl]pent-4-enamide
CID 177056000
3-methyl-N-(piperidin-2-ylmethyl)pentanamide
CID 114874123

Frequently Asked Questions

What is the IUPAC name of [(2S)-piperidin-2-yl]methylcarbamic acid?
The IUPAC name of [(2S)-piperidin-2-yl]methylcarbamic acid (CID 67090489) is [(2S)-piperidin-2-yl]methylcarbamic acid.
What is the SMILES notation for [(2S)-piperidin-2-yl]methylcarbamic acid?
The canonical SMILES for [(2S)-piperidin-2-yl]methylcarbamic acid is O=C(O)NC[C@@H]1CCCCN1.
What is the InChIKey of [(2S)-piperidin-2-yl]methylcarbamic acid?
The InChIKey is ZUINTLTYLSXKMV-LURJTMIESA-N. The full InChI is InChI=1S/C7H14N2O2/c10-7(11)9-5-6-3-1-2-4-8-6/h6,8-9H,1-5H2,(H,10,11)/t6-/m0/s1.
What are the key properties of [(2S)-piperidin-2-yl]methylcarbamic acid?
[(2S)-piperidin-2-yl]methylcarbamic acid has a molecular weight of 158.20 g/mol, XLogP of 0.40, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-piperidin-2-yl]methylcarbamic acid is sourced from PubChem (CID 67090489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).