(3R)-1-amino-3-undecyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine-4-carboxylic acid

C19H33N3O2 — CID 132966100

IUPAC(3R)-1-amino-3-undecyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine-4-carboxylic acid
SMILESCCCCCCCCCCC[C@H]1N=C(N)N2CCCC2=C1C(=O)O
InChIInChI=1S/C19H33N3O2/c1-2-3-4-5-6-7-8-9-10-12-15-17(18(23)24)16-13-11-14-22(16)19(20)21-15/h15H,2-14H2,1H3,(H2,20,21)(H,23,24)/t15-/m1/s1
InChIKeyWTCKRLJIJMNLSN-OAHLLOKOSA-N
MW335.49 g/mol
LogP4.04
Rot. Bonds11

About (3R)-1-amino-3-undecyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine-4-carboxylic acid

(3R)-1-amino-3-undecyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine-4-carboxylic acid (PubChem CID 132966100) has the molecular formula C19H33N3O2 and a molecular weight of 335.49 g/mol. Its IUPAC name is (3R)-1-amino-3-undecyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-amino-3-undecyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine-4-carboxylic acid
PubChem CID132966100
Molecular FormulaC19H33N3O2
Molecular Weight335.49 g/mol
Exact Mass335.26
IUPAC Name(3R)-1-amino-3-undecyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine-4-carboxylic acid
SMILESCCCCCCCCCCC[C@H]1N=C(N)N2CCCC2=C1C(=O)O
InChIInChI=1S/C19H33N3O2/c1-2-3-4-5-6-7-8-9-10-12-15-17(18(23)24)16-13-11-14-22(16)19(20)21-15/h15H,2-14H2,1H3,(H2,20,21)(H,23,24)/t15-/m1/s1
InChIKeyWTCKRLJIJMNLSN-OAHLLOKOSA-N
XLogP4.04
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.49
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-amino-3-undecyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine-4-carboxylic acid?
The IUPAC name of (3R)-1-amino-3-undecyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine-4-carboxylic acid (CID 132966100) is (3R)-1-amino-3-undecyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine-4-carboxylic acid.
What is the SMILES notation for (3R)-1-amino-3-undecyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine-4-carboxylic acid?
The canonical SMILES for (3R)-1-amino-3-undecyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine-4-carboxylic acid is CCCCCCCCCCC[C@H]1N=C(N)N2CCCC2=C1C(=O)O.
What is the InChIKey of (3R)-1-amino-3-undecyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine-4-carboxylic acid?
The InChIKey is WTCKRLJIJMNLSN-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H33N3O2/c1-2-3-4-5-6-7-8-9-10-12-15-17(18(23)24)16-13-11-14-22(16)19(20)21-15/h15H,2-14H2,1H3,(H2,20,21)(H,23,24)/t15-/m1/s1.
What are the key properties of (3R)-1-amino-3-undecyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine-4-carboxylic acid?
(3R)-1-amino-3-undecyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine-4-carboxylic acid has a molecular weight of 335.49 g/mol, XLogP of 4.04, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-amino-3-undecyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine-4-carboxylic acid is sourced from PubChem (CID 132966100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).