(2R)-3-methyl-2-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)butanoic acid

C11H14N4O2 — CID 122050876

IUPAC(2R)-3-methyl-2-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)butanoic acid
SMILESCC(C)[C@@H](Nc1ncnc2[nH]ccc12)C(=O)O
InChIInChI=1S/C11H14N4O2/c1-6(2)8(11(16)17)15-10-7-3-4-12-9(7)13-5-14-10/h3-6,8H,1-2H3,(H,16,17)(H2,12,13,14,15)/t8-/m1/s1
InChIKeyJDFXIEGECAJIPV-MRVPVSSYSA-N
MW234.26 g/mol
LogP1.48
Rot. Bonds4

About (2R)-3-methyl-2-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)butanoic acid

(2R)-3-methyl-2-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)butanoic acid (PubChem CID 122050876) has the molecular formula C11H14N4O2 and a molecular weight of 234.26 g/mol. Its IUPAC name is (2R)-3-methyl-2-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)butanoic acid.

Molecular Properties

Compound Name(2R)-3-methyl-2-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)butanoic acid
PubChem CID122050876
Molecular FormulaC11H14N4O2
Molecular Weight234.26 g/mol
Exact Mass234.11
IUPAC Name(2R)-3-methyl-2-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)butanoic acid
SMILESCC(C)[C@@H](Nc1ncnc2[nH]ccc12)C(=O)O
InChIInChI=1S/C11H14N4O2/c1-6(2)8(11(16)17)15-10-7-3-4-12-9(7)13-5-14-10/h3-6,8H,1-2H3,(H,16,17)(H2,12,13,14,15)/t8-/m1/s1
InChIKeyJDFXIEGECAJIPV-MRVPVSSYSA-N
XLogP1.48
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2R)-3-methyl-2-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)butanoic acid with MolForge

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Related Compounds

(2R)-4-methyl-2-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)pentanoic acid
CID 122049116
(2S,3R)-3-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)butan-2-ol
CID 175668026
(2S,3R)-2-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)butane-1,3-diol
CID 175667925
(2R)-3-methyl-2-(thieno[2,3-d]pyrimidin-4-ylamino)butanoic acid
CID 93263493
3-methyl-2-(7H-purin-6-ylamino)butanoic acid
CID 4136995
(2R)-2-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)butan-1-ol
CID 175667937
(2S)-2-[(6-bromoquinazolin-4-yl)amino]-3-methylbutanoic acid
CID 725459
(2R)-2-[(6-iodoquinazolin-4-yl)amino]-3-methylbutanoic acid
CID 122050838
N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride
CID 175758651
4-methyl-4-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)pentanoic acid
CID 122059153
(2S,3S)-3-methyl-2-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)pentanoic acid
CID 122050367
4-(3-methylbut-1-en-2-yl)-7H-pyrrolo[2,3-d]pyrimidine
CID 11644053

Frequently Asked Questions

What is the IUPAC name of (2R)-3-methyl-2-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)butanoic acid?
The IUPAC name of (2R)-3-methyl-2-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)butanoic acid (CID 122050876) is (2R)-3-methyl-2-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)butanoic acid.
What is the SMILES notation for (2R)-3-methyl-2-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)butanoic acid?
The canonical SMILES for (2R)-3-methyl-2-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)butanoic acid is CC(C)[C@@H](Nc1ncnc2[nH]ccc12)C(=O)O.
What is the InChIKey of (2R)-3-methyl-2-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)butanoic acid?
The InChIKey is JDFXIEGECAJIPV-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H14N4O2/c1-6(2)8(11(16)17)15-10-7-3-4-12-9(7)13-5-14-10/h3-6,8H,1-2H3,(H,16,17)(H2,12,13,14,15)/t8-/m1/s1.
What are the key properties of (2R)-3-methyl-2-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)butanoic acid?
(2R)-3-methyl-2-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)butanoic acid has a molecular weight of 234.26 g/mol, XLogP of 1.48, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-methyl-2-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)butanoic acid is sourced from PubChem (CID 122050876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).