(2S)-2-[(pyrimidin-2-ylamino)methyl]piperidine-1-carboxylic acid

C11H16N4O2 — CID 67090908

IUPAC(2S)-2-[(pyrimidin-2-ylamino)methyl]piperidine-1-carboxylic acid
SMILESO=C(O)N1CCCC[C@H]1CNc1ncccn1
InChIInChI=1S/C11H16N4O2/c16-11(17)15-7-2-1-4-9(15)8-14-10-12-5-3-6-13-10/h3,5-6,9H,1-2,4,7-8H2,(H,16,17)(H,12,13,14)/t9-/m0/s1
InChIKeyLZDSDSLMVNHKEK-VIFPVBQESA-N
MW236.27 g/mol
LogP1.42
Rot. Bonds3

About (2S)-2-[(pyrimidin-2-ylamino)methyl]piperidine-1-carboxylic acid

(2S)-2-[(pyrimidin-2-ylamino)methyl]piperidine-1-carboxylic acid (PubChem CID 67090908) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is (2S)-2-[(pyrimidin-2-ylamino)methyl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name(2S)-2-[(pyrimidin-2-ylamino)methyl]piperidine-1-carboxylic acid
PubChem CID67090908
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC Name(2S)-2-[(pyrimidin-2-ylamino)methyl]piperidine-1-carboxylic acid
SMILESO=C(O)N1CCCC[C@H]1CNc1ncccn1
InChIInChI=1S/C11H16N4O2/c16-11(17)15-7-2-1-4-9(15)8-14-10-12-5-3-6-13-10/h3,5-6,9H,1-2,4,7-8H2,(H,16,17)(H,12,13,14)/t9-/m0/s1
InChIKeyLZDSDSLMVNHKEK-VIFPVBQESA-N
XLogP1.42
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[(quinazolin-4-ylamino)methyl]piperidine-1-carboxylic acid
CID 67089806
2-(2-ethylpiperidin-1-yl)-2-oxo-N-pyrimidin-2-ylacetamide
CID 108520691
2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidine-1-carboxylic acid
CID 67090810
1-[2-[[(5-methoxypyrimidin-2-yl)amino]methyl]piperidin-1-yl]propan-1-one
CID 166977898
2-[[(4-methoxy-2-pyridinyl)amino]methyl]pyrrolidine-1-carboxylic acid
CID 140516562
(2R)-2-[(3-fluoroanilino)methyl]pyrrolidine-1-carboxylic acid
CID 90464997
tert-butyl 2-[[(4-chloropyrimidin-2-yl)amino]methyl]piperidine-1-carboxylate
CID 71631683
tert-butyl (2R)-2-[(pyridin-2-ylamino)methyl]piperidine-1-carboxylate
CID 95257239
[2-[[(5-bromopyrimidin-2-yl)amino]methyl]piperidin-1-yl]-(2,3-dichlorophenyl)methanone
CID 67090007
tert-butyl 2-[[(2-methyl-3-pyridinyl)amino]methyl]piperidine-1-carboxylate
CID 106634097
[(2S)-2-[[(5-bromopyrimidin-2-yl)amino]methyl]piperidin-1-yl]-(2-methoxyphenyl)methanone
CID 67090176
(2R)-2-(aminomethyl)piperidine-1-carboxylic acid
CID 67494395

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(pyrimidin-2-ylamino)methyl]piperidine-1-carboxylic acid?
The IUPAC name of (2S)-2-[(pyrimidin-2-ylamino)methyl]piperidine-1-carboxylic acid (CID 67090908) is (2S)-2-[(pyrimidin-2-ylamino)methyl]piperidine-1-carboxylic acid.
What is the SMILES notation for (2S)-2-[(pyrimidin-2-ylamino)methyl]piperidine-1-carboxylic acid?
The canonical SMILES for (2S)-2-[(pyrimidin-2-ylamino)methyl]piperidine-1-carboxylic acid is O=C(O)N1CCCC[C@H]1CNc1ncccn1.
What is the InChIKey of (2S)-2-[(pyrimidin-2-ylamino)methyl]piperidine-1-carboxylic acid?
The InChIKey is LZDSDSLMVNHKEK-VIFPVBQESA-N. The full InChI is InChI=1S/C11H16N4O2/c16-11(17)15-7-2-1-4-9(15)8-14-10-12-5-3-6-13-10/h3,5-6,9H,1-2,4,7-8H2,(H,16,17)(H,12,13,14)/t9-/m0/s1.
What are the key properties of (2S)-2-[(pyrimidin-2-ylamino)methyl]piperidine-1-carboxylic acid?
(2S)-2-[(pyrimidin-2-ylamino)methyl]piperidine-1-carboxylic acid has a molecular weight of 236.27 g/mol, XLogP of 1.42, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(pyrimidin-2-ylamino)methyl]piperidine-1-carboxylic acid is sourced from PubChem (CID 67090908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).