cis-(1S,2R)-2-[(2-propan-2-ylpyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid

C13H19N3O2 — CID 138024213

IUPACcis-(1S,2R)-2-[(2-propan-2-ylpyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid
SMILESCC(C)c1nccc(N[C@@H]2CCC[C@@H]2C(=O)O)n1
InChIInChI=1S/C13H19N3O2/c1-8(2)12-14-7-6-11(16-12)15-10-5-3-4-9(10)13(17)18/h6-10H,3-5H2,1-2H3,(H,17,18)(H,14,15,16)/t9-,10+/m0/s1
InChIKeyODOMRIKXNRNNHF-VHSXEESVSA-N
MW249.31 g/mol
LogP2.27
Rot. Bonds4

About cis-(1S,2R)-2-[(2-propan-2-ylpyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid

cis-(1S,2R)-2-[(2-propan-2-ylpyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid (PubChem CID 138024213) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is cis-(1S,2R)-2-[(2-propan-2-ylpyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1S,2R)-2-[(2-propan-2-ylpyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid
PubChem CID138024213
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Namecis-(1S,2R)-2-[(2-propan-2-ylpyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid
SMILESCC(C)c1nccc(N[C@@H]2CCC[C@@H]2C(=O)O)n1
InChIInChI=1S/C13H19N3O2/c1-8(2)12-14-7-6-11(16-12)15-10-5-3-4-9(10)13(17)18/h6-10H,3-5H2,1-2H3,(H,17,18)(H,14,15,16)/t9-,10+/m0/s1
InChIKeyODOMRIKXNRNNHF-VHSXEESVSA-N
XLogP2.27
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-2-propan-2-ylpyrimidin-4-amine
CID 130920544
2-(quinolin-2-ylamino)cyclopentane-1-carboxylic acid
CID 64816078
cis-(1R,2S)-2-(pyrimidin-2-ylamino)cyclopentane-1-carboxylic acid
CID 164653891
2-(pyrazolo[1,5-a]pyrimidin-5-ylamino)cyclopentane-1-carboxylic acid
CID 113296576
cis-(1R,2S)-2-[(5-chloro-2-propan-2-ylpyrimidine-4-carbonyl)amino]cycloheptane-1-carboxylic acid
CID 97320175
2-[(6-cyano-2-pyridinyl)amino]cyclopentane-1-carboxylic acid
CID 64817435
N-piperidin-4-yl-2-propan-2-ylpyrimidin-4-amine
CID 83838042
2-[[2-(ethylcarbamoyl)-4-pyridinyl]amino]cyclopentane-1-carboxylic acid
CID 64816659
2-(quinoxalin-2-ylamino)cyclohexane-1-carboxylic acid
CID 64818215
2-[(2-methoxycarbonyl-4-pyridinyl)amino]cyclopentane-1-carboxylic acid
CID 66287399
2-[(3,6-dimethylpyrazin-2-yl)amino]cyclopentane-1-carboxylic acid
CID 65416448
2-[(4-ethoxypyrimidin-2-yl)amino]cyclohexane-1-carboxylic acid
CID 112636132

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-[(2-propan-2-ylpyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1S,2R)-2-[(2-propan-2-ylpyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid (CID 138024213) is cis-(1S,2R)-2-[(2-propan-2-ylpyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1S,2R)-2-[(2-propan-2-ylpyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1S,2R)-2-[(2-propan-2-ylpyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid is CC(C)c1nccc(N[C@@H]2CCC[C@@H]2C(=O)O)n1.
What is the InChIKey of cis-(1S,2R)-2-[(2-propan-2-ylpyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is ODOMRIKXNRNNHF-VHSXEESVSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-8(2)12-14-7-6-11(16-12)15-10-5-3-4-9(10)13(17)18/h6-10H,3-5H2,1-2H3,(H,17,18)(H,14,15,16)/t9-,10+/m0/s1.
What are the key properties of cis-(1S,2R)-2-[(2-propan-2-ylpyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid?
cis-(1S,2R)-2-[(2-propan-2-ylpyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 249.31 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-[(2-propan-2-ylpyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 138024213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).