2-[[5-[[(3aS,6aR)-5-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]methyl]pyrimidin-2-yl]amino]acetic acid

C14H20N4O3 — CID 139599589

IUPAC2-[[5-[[(3aS,6aR)-5-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]methyl]pyrimidin-2-yl]amino]acetic acid
SMILESO=C(O)CNc1ncc(CN2C[C@H]3CC(O)C[C@H]3C2)cn1
InChIInChI=1S/C14H20N4O3/c19-12-1-10-7-18(8-11(10)2-12)6-9-3-15-14(16-4-9)17-5-13(20)21/h3-4,10-12,19H,1-2,5-8H2,(H,20,21)(H,15,16,17)/t10-,11+,12?
InChIKeyRFPIFLPFPYIDHH-FOSCPWQOSA-N
MW292.34 g/mol
LogP0.18
Rot. Bonds5

About 2-[[5-[[(3aS,6aR)-5-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]methyl]pyrimidin-2-yl]amino]acetic acid

2-[[5-[[(3aS,6aR)-5-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]methyl]pyrimidin-2-yl]amino]acetic acid (PubChem CID 139599589) has the molecular formula C14H20N4O3 and a molecular weight of 292.34 g/mol. Its IUPAC name is 2-[[5-[[(3aS,6aR)-5-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]methyl]pyrimidin-2-yl]amino]acetic acid.

Molecular Properties

Compound Name2-[[5-[[(3aS,6aR)-5-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]methyl]pyrimidin-2-yl]amino]acetic acid
PubChem CID139599589
Molecular FormulaC14H20N4O3
Molecular Weight292.34 g/mol
Exact Mass292.15
IUPAC Name2-[[5-[[(3aS,6aR)-5-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]methyl]pyrimidin-2-yl]amino]acetic acid
SMILESO=C(O)CNc1ncc(CN2C[C@H]3CC(O)C[C@H]3C2)cn1
InChIInChI=1S/C14H20N4O3/c19-12-1-10-7-18(8-11(10)2-12)6-9-3-15-14(16-4-9)17-5-13(20)21/h3-4,10-12,19H,1-2,5-8H2,(H,20,21)(H,15,16,17)/t10-,11+,12?
InChIKeyRFPIFLPFPYIDHH-FOSCPWQOSA-N
XLogP0.18
TPSA98.58 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 50.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[[5-[[(3aS,6aR)-5-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]methyl]pyrimidin-2-yl]amino]acetic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-[[(3aS,6aR)-5-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]methyl]pyrimidin-2-yl]amino]acetic acid?
The IUPAC name of 2-[[5-[[(3aS,6aR)-5-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]methyl]pyrimidin-2-yl]amino]acetic acid (CID 139599589) is 2-[[5-[[(3aS,6aR)-5-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]methyl]pyrimidin-2-yl]amino]acetic acid.
What is the SMILES notation for 2-[[5-[[(3aS,6aR)-5-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]methyl]pyrimidin-2-yl]amino]acetic acid?
The canonical SMILES for 2-[[5-[[(3aS,6aR)-5-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]methyl]pyrimidin-2-yl]amino]acetic acid is O=C(O)CNc1ncc(CN2C[C@H]3CC(O)C[C@H]3C2)cn1.
What is the InChIKey of 2-[[5-[[(3aS,6aR)-5-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]methyl]pyrimidin-2-yl]amino]acetic acid?
The InChIKey is RFPIFLPFPYIDHH-FOSCPWQOSA-N. The full InChI is InChI=1S/C14H20N4O3/c19-12-1-10-7-18(8-11(10)2-12)6-9-3-15-14(16-4-9)17-5-13(20)21/h3-4,10-12,19H,1-2,5-8H2,(H,20,21)(H,15,16,17)/t10-,11+,12?.
What are the key properties of 2-[[5-[[(3aS,6aR)-5-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]methyl]pyrimidin-2-yl]amino]acetic acid?
2-[[5-[[(3aS,6aR)-5-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]methyl]pyrimidin-2-yl]amino]acetic acid has a molecular weight of 292.34 g/mol, XLogP of 0.18, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[[(3aS,6aR)-5-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]methyl]pyrimidin-2-yl]amino]acetic acid is sourced from PubChem (CID 139599589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).