(2S,3S)-3-methyl-2-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)pentanoic acid

C11H15N5O2 — CID 122050367

IUPAC(2S,3S)-3-methyl-2-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)pentanoic acid
SMILESCC[C@H](C)[C@H](Nc1ncnc2[nH]ncc12)C(=O)O
InChIInChI=1S/C11H15N5O2/c1-3-6(2)8(11(17)18)15-9-7-4-14-16-10(7)13-5-12-9/h4-6,8H,3H2,1-2H3,(H,17,18)(H2,12,13,14,15,16)/t6-,8-/m0/s1
InChIKeyNSWXPUPTFBPYJQ-XPUUQOCRSA-N
MW249.27 g/mol
LogP1.26
Rot. Bonds5

About (2S,3S)-3-methyl-2-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)pentanoic acid

(2S,3S)-3-methyl-2-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)pentanoic acid (PubChem CID 122050367) has the molecular formula C11H15N5O2 and a molecular weight of 249.27 g/mol. Its IUPAC name is (2S,3S)-3-methyl-2-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)pentanoic acid.

Molecular Properties

Compound Name(2S,3S)-3-methyl-2-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)pentanoic acid
PubChem CID122050367
Molecular FormulaC11H15N5O2
Molecular Weight249.27 g/mol
Exact Mass249.12
IUPAC Name(2S,3S)-3-methyl-2-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)pentanoic acid
SMILESCC[C@H](C)[C@H](Nc1ncnc2[nH]ncc12)C(=O)O
InChIInChI=1S/C11H15N5O2/c1-3-6(2)8(11(17)18)15-9-7-4-14-16-10(7)13-5-12-9/h4-6,8H,3H2,1-2H3,(H,17,18)(H2,12,13,14,15,16)/t6-,8-/m0/s1
InChIKeyNSWXPUPTFBPYJQ-XPUUQOCRSA-N
XLogP1.26
TPSA103.79 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 51.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-2-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)pentanamide
CID 133416677
(2R,3S)-3-methyl-2-(quinazolin-4-ylamino)pentanoic acid
CID 725448
N-[4-[1-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)ethyl]phenyl]propanamide
CID 102554259
(2R,3R)-2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-3-methylpentanamide
CID 96996419
(2R)-3-methyl-2-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)butanoic acid
CID 122050876
ethyl 4-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)benzoate
CID 875354
(2S,3S)-3-methyl-2-(quinazolin-4-ylamino)pentanoate
CID 6928136
2-methyl-3-[methyl(1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]propanoic acid
CID 122064944
(2S)-N,2-diphenyl-2-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)acetamide
CID 95767770
(2R,3R)-2-[(2-chloro-7H-purin-6-yl)amino]-3-methylpentanoic acid
CID 97266253
N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 133355640
N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 133378136

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-methyl-2-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)pentanoic acid?
The IUPAC name of (2S,3S)-3-methyl-2-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)pentanoic acid (CID 122050367) is (2S,3S)-3-methyl-2-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)pentanoic acid.
What is the SMILES notation for (2S,3S)-3-methyl-2-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)pentanoic acid?
The canonical SMILES for (2S,3S)-3-methyl-2-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)pentanoic acid is CC[C@H](C)[C@H](Nc1ncnc2[nH]ncc12)C(=O)O.
What is the InChIKey of (2S,3S)-3-methyl-2-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)pentanoic acid?
The InChIKey is NSWXPUPTFBPYJQ-XPUUQOCRSA-N. The full InChI is InChI=1S/C11H15N5O2/c1-3-6(2)8(11(17)18)15-9-7-4-14-16-10(7)13-5-12-9/h4-6,8H,3H2,1-2H3,(H,17,18)(H2,12,13,14,15,16)/t6-,8-/m0/s1.
What are the key properties of (2S,3S)-3-methyl-2-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)pentanoic acid?
(2S,3S)-3-methyl-2-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)pentanoic acid has a molecular weight of 249.27 g/mol, XLogP of 1.26, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-methyl-2-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)pentanoic acid is sourced from PubChem (CID 122050367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).